2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine

C18H36N2 — CID 63469238

IUPAC2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCCC1CCC(N(C)C2CC(C(C)C)CCC2N)CC1
InChIInChI=1S/C18H36N2/c1-5-14-6-9-16(10-7-14)20(4)18-12-15(13(2)3)8-11-17(18)19/h13-18H,5-12,19H2,1-4H3
InChIKeyBILWSMLBWDPYHO-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.04
Rot. Bonds4

About 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine

2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine (PubChem CID 63469238) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
PubChem CID63469238
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
SMILESCCC1CCC(N(C)C2CC(C(C)C)CCC2N)CC1
InChIInChI=1S/C18H36N2/c1-5-14-6-9-16(10-7-14)20(4)18-12-15(13(2)3)8-11-17(18)19/h13-18H,5-12,19H2,1-4H3
InChIKeyBILWSMLBWDPYHO-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cycloheptyl-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63469021
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708595
2-N-methyl-2-N-pentan-3-yl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62701630
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
4-ethyl-2-N-methyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 16781866
2-N-methyl-2-N-(3-methylbutan-2-yl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 55105769
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223
2-N,2-N-bis(3-methylbutyl)-4-propan-2-ylcyclohexane-1,2-diamine
CID 107869613
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
2-N-cyclopropyl-4-ethyl-2-N-(3-methylbutyl)cyclohexane-1,2-diamine
CID 78974066

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine (CID 63469238) is 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine is CCC1CCC(N(C)C2CC(C(C)C)CCC2N)CC1.
What is the InChIKey of 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
The InChIKey is BILWSMLBWDPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-14-6-9-16(10-7-14)20(4)18-12-15(13(2)3)8-11-17(18)19/h13-18H,5-12,19H2,1-4H3.
What are the key properties of 2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine?
2-N-(4-ethylcyclohexyl)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.04, 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)-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine is sourced from PubChem (CID 63469238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).