N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane

C58H116N4O2 — CID 160950635

IUPACN-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane
SMILESC=CC(=O)N1CC(CC(C)(C)C)C1.C=CC(=O)N1CCC(CC(C)(C)C)CC1.CC(C)(C)CC1CCC1.CC(C)(C)NC1CCCCC1.CC(C)C(C)(C)C.CCN(CC)C(C)(C)C
InChIInChI=1S/C13H23NO.C11H19NO.C10H21N.C9H18.C8H19N.C7H16/c1-5-12(15)14-8-6-11(7-9-14)10-13(2,3)4;1-5-10(13)12-7-9(8-12)6-11(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)7-8-5-4-6-8;1-6-9(7-2)8(3,4)5;1-6(2)7(3,4)5/h5,11H,1,6-10H2,2-4H3;5,9H,1,6-8H2,2-4H3;9,11H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6-7H2,1-5H3;6H,1-5H3
InChIKeySVSBYFFHMNKPDJ-UHFFFAOYSA-N
MW901.59 g/mol
LogP15.66
Rot. Bonds8

About N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane

N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane (PubChem CID 160950635) has the molecular formula C58H116N4O2 and a molecular weight of 901.59 g/mol. Its IUPAC name is N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane.

Molecular Properties

Compound NameN-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane
PubChem CID160950635
Molecular FormulaC58H116N4O2
Molecular Weight901.59 g/mol
Exact Mass900.91
IUPAC NameN-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane
SMILESC=CC(=O)N1CC(CC(C)(C)C)C1.C=CC(=O)N1CCC(CC(C)(C)C)CC1.CC(C)(C)CC1CCC1.CC(C)(C)NC1CCCCC1.CC(C)C(C)(C)C.CCN(CC)C(C)(C)C
InChIInChI=1S/C13H23NO.C11H19NO.C10H21N.C9H18.C8H19N.C7H16/c1-5-12(15)14-8-6-11(7-9-14)10-13(2,3)4;1-5-10(13)12-7-9(8-12)6-11(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)7-8-5-4-6-8;1-6-9(7-2)8(3,4)5;1-6(2)7(3,4)5/h5,11H,1,6-10H2,2-4H3;5,9H,1,6-8H2,2-4H3;9,11H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6-7H2,1-5H3;6H,1-5H3
InChIKeySVSBYFFHMNKPDJ-UHFFFAOYSA-N
XLogP15.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.59
LogP ≤ 515.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane with MolForge

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Related Compounds

1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one;1-[(3R)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one;1-[(3R)-3-[tert-butyl(methyl)amino]azepan-1-yl]prop-2-en-1-one;1-[3-[methyl(propan-2-yl)amino]azepan-1-yl]prop-2-en-1-one;1-[3-(propan-2-ylamino)azepan-1-yl]prop-2-en-1-one
CID 161344752
1-(3-ethylazepan-1-yl)prop-2-en-1-one
CID 130328432
1-[3-(2,2-dimethylpentyl)azetidin-1-yl]prop-2-en-1-one
CID 129178321
1-[3-[(propan-2-ylamino)methyl]azetidin-1-yl]prop-2-en-1-one
CID 167098415
tert-butyl N-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]carbamate
CID 178119540
1-[3-(2-methylpropyl)azetidin-1-yl]prop-2-en-1-one
CID 130318558
2-methyl-3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid
CID 155822728
1-[3-[ethyl(methyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 155030706
N-tert-butyl-4-[2-(cyclohexylamino)-2-methylpropyl]cycloheptan-1-amine
CID 130444257
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319
1-(3-butylpyrrolidin-1-yl)prop-2-en-1-one
CID 177023076

Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane?
The IUPAC name of N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane (CID 160950635) is N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane.
What is the SMILES notation for N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane?
The canonical SMILES for N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane is C=CC(=O)N1CC(CC(C)(C)C)C1.C=CC(=O)N1CCC(CC(C)(C)C)CC1.CC(C)(C)CC1CCC1.CC(C)(C)NC1CCCCC1.CC(C)C(C)(C)C.CCN(CC)C(C)(C)C.
What is the InChIKey of N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane?
The InChIKey is SVSBYFFHMNKPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C11H19NO.C10H21N.C9H18.C8H19N.C7H16/c1-5-12(15)14-8-6-11(7-9-14)10-13(2,3)4;1-5-10(13)12-7-9(8-12)6-11(2,3)4;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)7-8-5-4-6-8;1-6-9(7-2)8(3,4)5;1-6(2)7(3,4)5/h5,11H,1,6-10H2,2-4H3;5,9H,1,6-8H2,2-4H3;9,11H,4-8H2,1-3H3;8H,4-7H2,1-3H3;6-7H2,1-5H3;6H,1-5H3.
What are the key properties of N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane?
N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane has a molecular weight of 901.59 g/mol, XLogP of 15.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexanamine;N,N-diethyl-2-methylpropan-2-amine;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]prop-2-en-1-one;2,2-dimethylpropylcyclobutane;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]prop-2-en-1-one;2,2,3-trimethylbutane is sourced from PubChem (CID 160950635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).