1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine

C16H34N2 — CID 64722812

IUPAC1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCNC1CC(C)CC(C)C1N(C)C(C)C(C)C
InChIInChI=1S/C16H34N2/c1-8-17-15-10-12(4)9-13(5)16(15)18(7)14(6)11(2)3/h11-17H,8-10H2,1-7H3
InChIKeySLYKOFGOEIWNGI-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.38
Rot. Bonds5

About 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine

1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine (PubChem CID 64722812) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
PubChem CID64722812
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine
SMILESCCNC1CC(C)CC(C)C1N(C)C(C)C(C)C
InChIInChI=1S/C16H34N2/c1-8-17-15-10-12(4)9-13(5)16(15)18(7)14(6)11(2)3/h11-17H,8-10H2,1-7H3
InChIKeySLYKOFGOEIWNGI-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,3,5-trimethyl-2-N-(4-methylpentan-2-yl)-1-N-propylcyclohexane-1,2-diamine
CID 64751152
2-N,3,5-trimethyl-2-N-pentan-3-yl-1-N-propylcyclohexane-1,2-diamine
CID 64723005
1-N-ethyl-2-N,3,5-trimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 64724849
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-3,5-dimethyl-2-N-propylcyclohexane-1,2-diamine
CID 64751354
1-N,2-N,3,5-tetramethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 64724225
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-ethyl-3,5-dimethylcyclohexane-1,2-diamine
CID 64751181
2-N,3,5-trimethyl-2-N-(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64724835
3,5-dimethyl-2-N,2-N-bis(2-methylpropyl)-1-N-propylcyclohexane-1,2-diamine
CID 64750941
N-ethyl-3,5-dimethyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclohexan-1-amine
CID 64734674
2-[[cyclopropyl(methyl)amino]methyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64737005
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
CID 79643301

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine (CID 64722812) is 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine is CCNC1CC(C)CC(C)C1N(C)C(C)C(C)C.
What is the InChIKey of 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is SLYKOFGOEIWNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-8-17-15-10-12(4)9-13(5)16(15)18(7)14(6)11(2)3/h11-17H,8-10H2,1-7H3.
What are the key properties of 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine?
1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N,3,5-trimethyl-2-N-(3-methylbutan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 64722812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).