2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine

C78H170N14O — CID 161063837

IUPAC2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCCC(N)CC1.CC(C)(C)N1CCCCC(N)C1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCC[C@H](N)C1.CC1CC(C(C)(C)C)CC(N)C1O.CC1CC(N)CC(C(C)(C)C)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO.C11H23N.3C10H22N2.2C9H20N2.C8H18N2/c1-7-5-8(11(2,3)4)6-9(12)10(7)13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-9(11)7-12(6-8)10(2,3)4;1-10(2,3)12-7-4-5-9(11)6-8-12;1-10(2,3)12-7-5-4-6-9(11)8-12;1-9(2,3)11-7-4-5-10-6-8-11;1-9(2,3)11-6-4-5-8(10)7-11;1-8(2,3)10-5-4-7(9)6-10/h7-10,13H,5-6,12H2,1-4H3;8-10H,5-7,12H2,1-4H3;8-9H,5-7,11H2,1-4H3;2*9H,4-8,11H2,1-3H3;10H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;7H,4-6,9H2,1-3H3/t;;8-,9+;;;;8-;/m..1...0./s1
InChIKeyUDTBTEYZOXKGSJ-WYVOBKKASA-N
MW1320.31 g/mol
LogP12.32
Rot. Bonds

About 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine

2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine (PubChem CID 161063837) has the molecular formula C78H170N14O and a molecular weight of 1320.31 g/mol. Its IUPAC name is 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine
PubChem CID161063837
Molecular FormulaC78H170N14O
Molecular Weight1320.31 g/mol
Exact Mass1319.37
IUPAC Name2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine
SMILESCC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCCC(N)CC1.CC(C)(C)N1CCCCC(N)C1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCC[C@H](N)C1.CC1CC(C(C)(C)C)CC(N)C1O.CC1CC(N)CC(C(C)(C)C)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1
InChIInChI=1S/C11H23NO.C11H23N.3C10H22N2.2C9H20N2.C8H18N2/c1-7-5-8(11(2,3)4)6-9(12)10(7)13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-9(11)7-12(6-8)10(2,3)4;1-10(2,3)12-7-4-5-9(11)6-8-12;1-10(2,3)12-7-5-4-6-9(11)8-12;1-9(2,3)11-7-4-5-10-6-8-11;1-9(2,3)11-6-4-5-8(10)7-11;1-8(2,3)10-5-4-7(9)6-10/h7-10,13H,5-6,12H2,1-4H3;8-10H,5-7,12H2,1-4H3;8-9H,5-7,11H2,1-4H3;2*9H,4-8,11H2,1-3H3;10H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;7H,4-6,9H2,1-3H3/t;;8-,9+;;;;8-;/m..1...0./s1
InChIKeyUDTBTEYZOXKGSJ-WYVOBKKASA-N
XLogP12.32
TPSA233.84 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001320.31
LogP ≤ 512.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-tert-butylpyrrolidin-3-amine;1-tert-butylpyrrolidine;(3R)-1-tert-butylpyrrolidin-3-ol;(3S)-3-methylpyrrolidine;propane
CID 158476670
(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
CID 159904713
1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
CID 167711210
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;1-tert-butyl-5-cyclopropylpiperidin-3-amine;1-tert-butylpiperidin-3-amine
CID 157485992
(6S)-1-tert-butyl-6-methyl-1,4-diazepane
CID 94238222
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
CID 159819553
(3R)-1-tert-butyl-3-methylcyclopentane;1,3-ditert-butylazetidine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;ethane
CID 165073914
1,4-ditert-butyl-1,4-diazepane;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine;1,3-ditert-butylpyrrolidine;methane
CID 159756767
4-tert-butylmorpholine;1-tert-butylpyrrolidin-3-amine
CID 159962975

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine?
The IUPAC name of 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine (CID 161063837) is 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine.
What is the SMILES notation for 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine?
The canonical SMILES for 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine is CC(C)(C)N1CCC(N)C1.CC(C)(C)N1CCCC(N)CC1.CC(C)(C)N1CCCCC(N)C1.CC(C)(C)N1CCCNCC1.CC(C)(C)N1CCC[C@H](N)C1.CC1CC(C(C)(C)C)CC(N)C1O.CC1CC(N)CC(C(C)(C)C)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.
What is the InChIKey of 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine?
The InChIKey is UDTBTEYZOXKGSJ-WYVOBKKASA-N. The full InChI is InChI=1S/C11H23NO.C11H23N.3C10H22N2.2C9H20N2.C8H18N2/c1-7-5-8(11(2,3)4)6-9(12)10(7)13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-8-5-9(11)7-12(6-8)10(2,3)4;1-10(2,3)12-7-4-5-9(11)6-8-12;1-10(2,3)12-7-5-4-6-9(11)8-12;1-9(2,3)11-7-4-5-10-6-8-11;1-9(2,3)11-6-4-5-8(10)7-11;1-8(2,3)10-5-4-7(9)6-10/h7-10,13H,5-6,12H2,1-4H3;8-10H,5-7,12H2,1-4H3;8-9H,5-7,11H2,1-4H3;2*9H,4-8,11H2,1-3H3;10H,4-8H2,1-3H3;8H,4-7,10H2,1-3H3;7H,4-6,9H2,1-3H3/t;;8-,9+;;;;8-;/m..1...0./s1.
What are the key properties of 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine?
2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine has a molecular weight of 1320.31 g/mol, XLogP of 12.32, 0 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tert-butyl-6-methylcyclohexan-1-ol;1-tert-butylazepan-3-amine;1-tert-butylazepan-4-amine;1-tert-butyl-1,4-diazepane;3-tert-butyl-5-methylcyclohexan-1-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;1-tert-butylpyrrolidin-3-amine is sourced from PubChem (CID 161063837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).