2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine

C18H36N2 — CID 79828933

IUPAC2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)C2CCCCC2C)CCCC1(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-16(12-9-13-18(17,3)4)20(5)15-11-8-7-10-14(15)2/h14-17,19H,6-13H2,1-5H3
InChIKeyIDLNCTOWDCLMFM-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds4

About 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine

2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine (PubChem CID 79828933) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
PubChem CID79828933
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)C2CCCCC2C)CCCC1(C)C
InChIInChI=1S/C18H36N2/c1-6-19-17-16(12-9-13-18(17,3)4)20(5)15-11-8-7-10-14(15)2/h14-17,19H,6-13H2,1-5H3
InChIKeyIDLNCTOWDCLMFM-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)cyclohexane-1,2-diamine
CID 79829226
2-N-ethyl-1-N,3,3-trimethyl-1-N-(4-methylpentan-2-yl)cyclohexane-1,2-diamine
CID 79829501
2-N-ethyl-1-N-(1-methoxypropan-2-yl)-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828606
N,2,2-trimethyl-6-[[methyl-(2-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79849107
2-N-ethyl-1-N,3,3-trimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,2-diamine
CID 79828545
1-N-(2-ethoxyethyl)-1-N,2-N-diethyl-3,3-dimethylcyclohexane-1,2-diamine
CID 79828381
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811
N-[2-(ethylaminomethyl)cyclobutyl]-N,2-dimethylcyclohexan-1-amine
CID 80997645
N-ethyl-2,2-dimethylcyclopentan-1-amine;hydrochloride
CID 154577104
N-ethyl-2,2-dimethyl-6-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 79852388
1-N,1-N-bis(cyclopropylmethyl)-2-N-ethyl-3,3-dimethylcyclopentane-1,2-diamine
CID 79859850
N-ethyl-6-[[3-methoxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849429

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine (CID 79828933) is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine is CCNC1C(N(C)C2CCCCC2C)CCCC1(C)C.
What is the InChIKey of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine?
The InChIKey is IDLNCTOWDCLMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-6-19-17-16(12-9-13-18(17,3)4)20(5)15-11-8-7-10-14(15)2/h14-17,19H,6-13H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine?
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-methylcyclohexyl)cyclohexane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 4 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-(2-methylcyclohexyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).