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

C15H32N2 — CID 54948683

IUPAC1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)C1CCC(CC)CC1
InChIInChI=1S/C15H32N2/c1-4-6-7-14(16)12-17(3)15-10-8-13(5-2)9-11-15/h13-15H,4-12,16H2,1-3H3
InChIKeyAJQDHEWPJGPKMG-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds7

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

1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine (PubChem CID 54948683) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine
PubChem CID54948683
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine
SMILESCCCCC(N)CN(C)C1CCC(CC)CC1
InChIInChI=1S/C15H32N2/c1-4-6-7-14(16)12-17(3)15-10-8-13(5-2)9-11-15/h13-15H,4-12,16H2,1-3H3
InChIKeyAJQDHEWPJGPKMG-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(cyclopropylmethyl)-1-N-methylhexane-1,2-diamine
CID 60984085
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 61449744
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
N-(2-hexylnonyl)-N-methyl-4-[(pentadecan-8-ylamino)methyl]cyclohexan-1-amine
CID 170250372
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825628
5-methoxy-1-N-methyl-1-N-(oxan-4-yl)pentane-1,2-diamine
CID 81101623
1-N-cyclopropyl-1-N-ethylpentane-1,2-diamine
CID 43650458
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine?
The IUPAC name of 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine (CID 54948683) is 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine is CCCCC(N)CN(C)C1CCC(CC)CC1.
What is the InChIKey of 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine?
The InChIKey is AJQDHEWPJGPKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-7-14(16)12-17(3)15-10-8-13(5-2)9-11-15/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine?
1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylcyclohexyl)-1-N-methylhexane-1,2-diamine is sourced from PubChem (CID 54948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).