N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine

C19H32N2 — CID 64585447

IUPACN'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
SMILESCCCCN(CCNCC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-2-3-15-21(19-12-8-5-9-13-19)16-14-20-17-18-10-6-4-7-11-18/h5,8-9,12-13,18,20H,2-4,6-7,10-11,14-17H2,1H3
InChIKeyWCVDYMFFSYHIMB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds9

About N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine

N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine (PubChem CID 64585447) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
PubChem CID64585447
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine
SMILESCCCCN(CCNCC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H32N2/c1-2-3-15-21(19-12-8-5-9-13-19)16-14-20-17-18-10-6-4-7-11-18/h5,8-9,12-13,18,20H,2-4,6-7,10-11,14-17H2,1H3
InChIKeyWCVDYMFFSYHIMB-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Desipramine
CID 2995
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
1-Phenylpiperazine
CID 7096
N-ethyl-3-methylaniline
CID 7603
N-Ethyl-N-benzylaniline
CID 7098
N,N'-Diphenylethylenediamine
CID 67422
N,N'-Di-o-tolylethylenediamine
CID 66759
Benzylaniline
CID 66028
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
1,2-Ethanediamine, N1-phenyl-
CID 74270
Phenbenzamine
CID 13751

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine (CID 64585447) is N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine is CCCCN(CCNCC1CCCCC1)c1ccccc1.
What is the InChIKey of N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine?
The InChIKey is WCVDYMFFSYHIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-2-3-15-21(19-12-8-5-9-13-19)16-14-20-17-18-10-6-4-7-11-18/h5,8-9,12-13,18,20H,2-4,6-7,10-11,14-17H2,1H3.
What are the key properties of N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine?
N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(cyclohexylmethyl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 64585447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).