2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine

C18H36N2 — CID 63469418

IUPAC2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
SMILESCCC1CCC(N(C)C2CCCCCCC2NC)CC1
InChIInChI=1S/C18H36N2/c1-4-15-11-13-16(14-12-15)20(3)18-10-8-6-5-7-9-17(18)19-2/h15-19H,4-14H2,1-3H3
InChIKeyCNFMNIVNPJIWPD-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds4

About 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine

2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine (PubChem CID 63469418) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
PubChem CID63469418
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
SMILESCCC1CCC(N(C)C2CCCCCCC2NC)CC1
InChIInChI=1S/C18H36N2/c1-4-15-11-13-16(14-12-15)20(3)18-10-8-6-5-7-9-17(18)19-2/h15-19H,4-14H2,1-3H3
InChIKeyCNFMNIVNPJIWPD-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-N-methylcycloheptan-1-amine
CID 63493764
trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 134438411
2-N-cyclopropyl-2-N-ethyl-1-N-methylcyclododecane-1,2-diamine
CID 63465935
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
1-N,2-N-dimethyl-2-N-(1-methylpiperidin-3-yl)cyclohexane-1,2-diamine
CID 62547117
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
1-N-methyl-2-N,2-N-dipropylcyclododecane-1,2-diamine
CID 63466736
2-[[(1R,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]ethanol
CID 124526902
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
2-(aminomethyl)-N-cyclohexyl-5-ethyl-N-methylcyclohexan-1-amine
CID 43329364
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
CID 43613832

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine?
The IUPAC name of 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine (CID 63469418) is 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine is CCC1CCC(N(C)C2CCCCCCC2NC)CC1.
What is the InChIKey of 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine?
The InChIKey is CNFMNIVNPJIWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-15-11-13-16(14-12-15)20(3)18-10-8-6-5-7-9-17(18)19-2/h15-19H,4-14H2,1-3H3.
What are the key properties of 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine?
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine is sourced from PubChem (CID 63469418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).