4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

C16H32N2 — CID 79123260

IUPAC4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CC2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-3-12-17-15-8-10-16(11-9-15)18(2)13-14-6-4-5-7-14/h14-17H,3-13H2,1-2H3
InChIKeyDKPSHWKWJKKNGA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds6

About 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 79123260) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID79123260
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CC2CCCC2)CC1
InChIInChI=1S/C16H32N2/c1-3-12-17-15-8-10-16(11-9-15)18(2)13-14-6-4-5-7-14/h14-17H,3-13H2,1-2H3
InChIKeyDKPSHWKWJKKNGA-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
CID 79643663
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (CID 79123260) is 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)CC2CCCC2)CC1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is DKPSHWKWJKKNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-12-17-15-8-10-16(11-9-15)18(2)13-14-6-4-5-7-14/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79123260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).