3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane

C79H179N21 — CID 160895976

IUPAC3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane
SMILESC.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNC1.CC(C)(C)CCCN.CC(C)(C)CCCN=C(N)N.CC(C)(C)CCN=C(N)N.CC(C)(C)CN=C(N)N.CC(C)(C)N1CCNCC1.[H]/N=C(\N)N1CC(C(C)(C)C)C1.[H]/N=C(\N)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N3.C9H19N.C8H17N3.C8H19N3.C8H18N2.C8H17N.C7H17N3.C7H15N.C7H17N.C6H15N3.CH4/c1-10(2,3)8-4-6-13(7-5-8)9(11)12;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-11(5-6)7(9)10;1-8(2,3)5-4-6-11-7(9)10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-4-5-9-6-7;1-7(2,3)4-5-10-6(8)9;1-7(2,3)6-4-8-5-6;1-7(2,3)5-4-6-8;1-6(2,3)4-9-5(7)8;/h8H,4-7H2,1-3H3,(H3,11,12);8,10H,4-7H2,1-3H3;6H,4-5H2,1-3H3,(H3,9,10);4-6H2,1-3H3,(H4,9,10,11);9H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-5H2,1-3H3,(H4,8,9,10);6,8H,4-5H2,1-3H3;4-6,8H2,1-3H3;4H2,1-3H3,(H4,7,8,9);1H4
InChIKeySOWMLXOLXYXTJJ-UHFFFAOYSA-N
MW1423.45 g/mol
LogP12.61
Rot. Bonds8

About 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane

3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane (PubChem CID 160895976) has the molecular formula C79H179N21 and a molecular weight of 1423.45 g/mol. Its IUPAC name is 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane.

Molecular Properties

Compound Name3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane
PubChem CID160895976
Molecular FormulaC79H179N21
Molecular Weight1423.45 g/mol
Exact Mass1422.47
IUPAC Name3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane
SMILESC.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNC1.CC(C)(C)CCCN.CC(C)(C)CCCN=C(N)N.CC(C)(C)CCN=C(N)N.CC(C)(C)CN=C(N)N.CC(C)(C)N1CCNCC1.[H]/N=C(\N)N1CC(C(C)(C)C)C1.[H]/N=C(\N)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N3.C9H19N.C8H17N3.C8H19N3.C8H18N2.C8H17N.C7H17N3.C7H15N.C7H17N.C6H15N3.CH4/c1-10(2,3)8-4-6-13(7-5-8)9(11)12;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-11(5-6)7(9)10;1-8(2,3)5-4-6-11-7(9)10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-4-5-9-6-7;1-7(2,3)4-5-10-6(8)9;1-7(2,3)6-4-8-5-6;1-7(2,3)5-4-6-8;1-6(2,3)4-9-5(7)8;/h8H,4-7H2,1-3H3,(H3,11,12);8,10H,4-7H2,1-3H3;6H,4-5H2,1-3H3,(H3,9,10);4-6H2,1-3H3,(H4,9,10,11);9H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-5H2,1-3H3,(H4,8,9,10);6,8H,4-5H2,1-3H3;4-6,8H2,1-3H3;4H2,1-3H3,(H4,7,8,9);1H4
InChIKeySOWMLXOLXYXTJJ-UHFFFAOYSA-N
XLogP12.61
TPSA376.80 Ų
H-Bond Donors15
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001423.45
LogP ≤ 512.61
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane with MolForge

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Related Compounds

4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;ethane;3-methylcyclobutan-1-amine
CID 158022141
4-tert-butyl-1,1-dimethylpiperidin-1-ium;1-tert-butylpiperazine;4-tert-butylpyridine;2-(3,3-dimethylbutyl)guanidine;3-(5,5-dimethylhexyl)azetidine;1-(4,4-dimethylpentyl)piperazine;3-(2,2-dimethylpropoxy)cyclobutan-1-amine;(3R)-3-(2,2-dimethylpropyl)pyrrolidine;(3S)-3-(2,2-dimethylpropyl)pyrrolidine;3-methylcyclobutan-1-amine
CID 159405010
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
2-(4-tert-butylpiperidin-1-yl)butanimidamide
CID 62090215
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
CID 167711210
1-tert-butylpiperazine;ethane;methane
CID 161367706
4-(2-fluoroethyl)piperidine-1-carboximidamide
CID 121201056
4-(3-methylbutyl)piperidine-1-carboximidamide
CID 21018807
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
tert-butyl formate;piperazine-1-carboximidamide;hydrochloride
CID 174785913
(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
CID 45088464

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane?
The IUPAC name of 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane (CID 160895976) is 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane.
What is the SMILES notation for 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane?
The canonical SMILES for 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane is C.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)C1CNC1.CC(C)(C)CCCN.CC(C)(C)CCCN=C(N)N.CC(C)(C)CCN=C(N)N.CC(C)(C)CN=C(N)N.CC(C)(C)N1CCNCC1.[H]/N=C(\N)N1CC(C(C)(C)C)C1.[H]/N=C(\N)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane?
The InChIKey is SOWMLXOLXYXTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C9H19N.C8H17N3.C8H19N3.C8H18N2.C8H17N.C7H17N3.C7H15N.C7H17N.C6H15N3.CH4/c1-10(2,3)8-4-6-13(7-5-8)9(11)12;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-11(5-6)7(9)10;1-8(2,3)5-4-6-11-7(9)10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-4-5-9-6-7;1-7(2,3)4-5-10-6(8)9;1-7(2,3)6-4-8-5-6;1-7(2,3)5-4-6-8;1-6(2,3)4-9-5(7)8;/h8H,4-7H2,1-3H3,(H3,11,12);8,10H,4-7H2,1-3H3;6H,4-5H2,1-3H3,(H3,9,10);4-6H2,1-3H3,(H4,9,10,11);9H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-5H2,1-3H3,(H4,8,9,10);6,8H,4-5H2,1-3H3;4-6,8H2,1-3H3;4H2,1-3H3,(H4,7,8,9);1H4.
What are the key properties of 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane?
3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane has a molecular weight of 1423.45 g/mol, XLogP of 12.61, 8 rotatable bonds, 15 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylazetidine;3-tert-butylazetidine-1-carboximidamide;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butylpiperidine-1-carboximidamide;3-tert-butylpyrrolidine;2-(3,3-dimethylbutyl)guanidine;4,4-dimethylpentan-1-amine;2-(4,4-dimethylpentyl)guanidine;2-(2,2-dimethylpropyl)guanidine;methane is sourced from PubChem (CID 160895976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).