2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine

C17H28N2 — CID 43100966

IUPAC2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
SMILESCCCCN(C)C1CC(c2ccccc2)CCC1N
InChIInChI=1S/C17H28N2/c1-3-4-12-19(2)17-13-15(10-11-16(17)18)14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13,18H2,1-2H3
InChIKeyTUKMDQKUFYNROX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.38
Rot. Bonds5

About 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine

2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine (PubChem CID 43100966) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
PubChem CID43100966
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine
SMILESCCCCN(C)C1CC(c2ccccc2)CCC1N
InChIInChI=1S/C17H28N2/c1-3-4-12-19(2)17-13-15(10-11-16(17)18)14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13,18H2,1-2H3
InChIKeyTUKMDQKUFYNROX-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
2-N-ethyl-2-N-(2-methylbutyl)-4-phenylcyclohexane-1,2-diamine
CID 79481944
2-[methyl(propyl)amino]-4-phenylcyclohexane-1-carboxylic acid
CID 63066865
2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65486260
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
CID 43293727
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
CID 61424825
1-[[2-(aminomethyl)-5-phenylcyclohexyl]-methylamino]propan-2-ol
CID 62334960
4-phenyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727261
1-N-butyl-1-N-phenylcyclopentane-1,2-diamine
CID 64586745
(3-methylcyclopentyl)benzene;propane
CID 142973096
4-phenyl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454495

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine (CID 43100966) is 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine is CCCCN(C)C1CC(c2ccccc2)CCC1N.
What is the InChIKey of 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine?
The InChIKey is TUKMDQKUFYNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-12-19(2)17-13-15(10-11-16(17)18)14-8-6-5-7-9-14/h5-9,15-17H,3-4,10-13,18H2,1-2H3.
What are the key properties of 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine?
2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-4-phenylcyclohexane-1,2-diamine is sourced from PubChem (CID 43100966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).