N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine

C16H32N2 — CID 113448127

IUPACN'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CC1CCCCC1)C1CCCC1
InChIInChI=1S/C16H32N2/c1-17-16(15-10-6-7-11-15)13-18(2)12-14-8-4-3-5-9-14/h14-17H,3-13H2,1-2H3
InChIKeyQMMYIMPAJZOBDD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine

N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 113448127) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
PubChem CID113448127
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
SMILESCNC(CN(C)CC1CCCCC1)C1CCCC1
InChIInChI=1S/C16H32N2/c1-17-16(15-10-6-7-11-15)13-18(2)12-14-8-4-3-5-9-14/h14-17H,3-13H2,1-2H3
InChIKeyQMMYIMPAJZOBDD-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 104746229
2-[cyclohexylmethyl(methyl)amino]-1-cyclopropylethanol
CID 63906781
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
3-[cyclohexylmethyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64827404
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-cyclopentyl-N'-(2-methoxyethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745174
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505670

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine (CID 113448127) is N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine is CNC(CN(C)CC1CCCCC1)C1CCCC1.
What is the InChIKey of N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is QMMYIMPAJZOBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-17-16(15-10-6-7-11-15)13-18(2)12-14-8-4-3-5-9-14/h14-17H,3-13H2,1-2H3.
What are the key properties of N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine?
N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 113448127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).