4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine

C15H31N3 — CID 79121604

IUPAC4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCN1CCCC(N(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-18-11-4-5-14(10-12-18)17(2)15-8-6-13(16)7-9-15/h13-15H,3-12,16H2,1-2H3
InChIKeyFWCOIGQPNOONHE-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.06
Rot. Bonds3

About 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine

4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121604) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121604
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine
SMILESCCN1CCCC(N(C)C2CCC(N)CC2)CC1
InChIInChI=1S/C15H31N3/c1-3-18-11-4-5-14(10-12-18)17(2)15-8-6-13(16)7-9-15/h13-15H,3-12,16H2,1-2H3
InChIKeyFWCOIGQPNOONHE-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
4-N-(4-ethylcycloheptyl)-4-N-methylcyclohexane-1,4-diamine
CID 79114027
4-[[4-[cyclohexyl(methyl)amino]cyclohexyl]methyl]cyclohexan-1-amine
CID 141217448
1-(2-aminoethyl)-N-cyclopropyl-N-methylpiperidin-3-amine
CID 66567911
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
1,4-diethylazepane
CID 67522864
2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
CID 65077241
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
3-(4-aminocyclohexyl)-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 62782861

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine (CID 79121604) is 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine is CCN1CCCC(N(C)C2CCC(N)CC2)CC1.
What is the InChIKey of 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is FWCOIGQPNOONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-18-11-4-5-14(10-12-18)17(2)15-8-6-13(16)7-9-15/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 253.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethylazepan-4-yl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).