2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine

C17H36N2 — CID 79829501

IUPAC2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)C(C)CC(C)C)CCCC1(C)C
InChIInChI=1S/C17H36N2/c1-8-18-16-15(10-9-11-17(16,5)6)19(7)14(4)12-13(2)3/h13-16,18H,8-12H2,1-7H3
InChIKeyIOOIOQFWXGRJFM-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds6

About 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine

2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine (PubChem CID 79829501) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
PubChem CID79829501
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)C(C)CC(C)C)CCCC1(C)C
InChIInChI=1S/C17H36N2/c1-8-18-16-15(10-9-11-17(16,5)6)19(7)14(4)12-13(2)3/h13-16,18H,8-12H2,1-7H3
InChIKeyIOOIOQFWXGRJFM-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
CID 79828933
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
2-N-ethyl-1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 79829226
N-ethyl-6-[[ethyl(2-methylpropyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79853430
N-ethyl-2,2-dimethyl-6-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-amine
CID 79853183
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-amine
CID 79853433
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 79828545
1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbutan-1-amine
CID 107187753
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
N-ethyl-6-(1-methoxypropan-2-yloxy)-2,2-dimethylcyclohexan-1-amine
CID 79836067
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine (CID 79829501) is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine is CCNC1C(N(C)C(C)CC(C)C)CCCC1(C)C.
What is the InChIKey of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
The InChIKey is IOOIOQFWXGRJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-18-16-15(10-9-11-17(16,5)6)19(7)14(4)12-13(2)3/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine?
2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79829501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).