4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine

C15H30N2 — CID 79123042

IUPAC4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)CC2CCCC2)CC1
InChIInChI=1S/C15H30N2/c1-3-16-14-8-10-15(11-9-14)17(2)12-13-6-4-5-7-13/h13-16H,3-12H2,1-2H3
InChIKeyLXTHWSCMRSATSQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine

4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79123042) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
PubChem CID79123042
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
SMILESCCNC1CCC(N(C)CC2CCCC2)CC1
InChIInChI=1S/C15H30N2/c1-3-16-14-8-10-15(11-9-14)17(2)12-13-6-4-5-7-13/h13-16H,3-12H2,1-2H3
InChIKeyLXTHWSCMRSATSQ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
CID 79643663
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
1-N-ethyl-4-N-methyl-4-N-prop-2-enylcyclohexane-1,4-diamine
CID 102662655
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclopropanamine;hydrochloride
CID 43810659

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine (CID 79123042) is 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine is CCNC1CCC(N(C)CC2CCCC2)CC1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is LXTHWSCMRSATSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-16-14-8-10-15(11-9-14)17(2)12-13-6-4-5-7-13/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine?
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79123042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).