1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine

C17H28N2 — CID 114929489

IUPAC1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
SMILESCN(CC(N)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-19(17-10-6-3-7-11-17)14-16(18)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,16-17H,3,6-7,10-14,18H2,1H3
InChIKeyBXNSTFDQNLTZQI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds6

About 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine

1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine (PubChem CID 114929489) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
PubChem CID114929489
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
SMILESCN(CC(N)CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H28N2/c1-19(17-10-6-3-7-11-17)14-16(18)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,16-17H,3,6-7,10-14,18H2,1H3
InChIKeyBXNSTFDQNLTZQI-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
CID 69151806
1-cyclohexyl-5-phenylpentan-3-amine
CID 115793645
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
2-amino-3-[cycloheptyl(methyl)amino]propan-1-ol
CID 64797293
1-N-cyclohexyl-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81102490
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 61449744
1-N,3-dicyclohexyl-1-N-methylpropane-1,2-diamine
CID 114264928
3-amino-4-[cyclohexyl(methyl)amino]butanoic acid
CID 115241626
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine (CID 114929489) is 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine is CN(CC(N)CCc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine?
The InChIKey is BXNSTFDQNLTZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-19(17-10-6-3-7-11-17)14-16(18)13-12-15-8-4-2-5-9-15/h2,4-5,8-9,16-17H,3,6-7,10-14,18H2,1H3.
What are the key properties of 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine?
1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 114929489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).