1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine

C15H30N2 — CID 79618494

IUPAC1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
SMILESCNC1CCCC(N(C)CC2CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-16-14-9-6-10-15(11-14)17(2)12-13-7-4-3-5-8-13/h13-16H,3-12H2,1-2H3
InChIKeyRDSSAHVGHJYERC-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine

1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine (PubChem CID 79618494) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
PubChem CID79618494
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine
SMILESCNC1CCCC(N(C)CC2CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-16-14-9-6-10-15(11-14)17(2)12-13-7-4-3-5-8-13/h13-16H,3-12H2,1-2H3
InChIKeyRDSSAHVGHJYERC-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclopentane-1,3-diamine
CID 79643663
N-(cyclohexylmethyl)-N-methylcyclohexanamine;ethane
CID 143467626
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
trans-(1S,3S)-1-N,1-N,3-N-trimethylcyclohexane-1,3-diamine
CID 139514025
1-N-(cyclobutylmethyl)-1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 62862349
3-N,3-N-diethyl-1-N-methylcycloheptane-1,3-diamine
CID 83863334
3-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79617842
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
4-N-(cyclopentylmethyl)-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79123042
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042998

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine (CID 79618494) is 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine is CNC1CCCC(N(C)CC2CCCCC2)C1.
What is the InChIKey of 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine?
The InChIKey is RDSSAHVGHJYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-16-14-9-6-10-15(11-14)17(2)12-13-7-4-3-5-8-13/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine?
1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclohexylmethyl)-1-N,3-N-dimethylcyclohexane-1,3-diamine is sourced from PubChem (CID 79618494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).