1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine

C26H44N2 — CID 69065368

IUPAC1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
SMILESCCCCN(c1cccc(N(CCCC)C2CCCCC2)c1)C1CCCCC1
InChIInChI=1S/C26H44N2/c1-3-5-20-27(23-14-9-7-10-15-23)25-18-13-19-26(22-25)28(21-6-4-2)24-16-11-8-12-17-24/h13,18-19,22-24H,3-12,14-17,20-21H2,1-2H3
InChIKeyANAHJJMYZORYCZ-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.57
Rot. Bonds10

About 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine

1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine (PubChem CID 69065368) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
PubChem CID69065368
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
SMILESCCCCN(c1cccc(N(CCCC)C2CCCCC2)c1)C1CCCCC1
InChIInChI=1S/C26H44N2/c1-3-5-20-27(23-14-9-7-10-15-23)25-18-13-19-26(22-25)28(21-6-4-2)24-16-11-8-12-17-24/h13,18-19,22-24H,3-12,14-17,20-21H2,1-2H3
InChIKeyANAHJJMYZORYCZ-UHFFFAOYSA-N
XLogP7.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclohexyl(propyl)amino]phenol
CID 57226980
N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 82927448
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
3-bromo-N-cyclohexyl-N-ethylaniline
CID 146003901
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
4-[cyclohexyl(propyl)amino]phenol
CID 57283531
1-N-butyl-1-N-phenylcyclopentane-1,2-diamine
CID 64586745
N-benzyl-N-cyclohexyl-3-methylaniline
CID 21396776
1-N-butyl-3-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 67054856
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine (CID 69065368) is 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine is CCCCN(c1cccc(N(CCCC)C2CCCCC2)c1)C1CCCCC1.
What is the InChIKey of 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine?
The InChIKey is ANAHJJMYZORYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2/c1-3-5-20-27(23-14-9-7-10-15-23)25-18-13-19-26(22-25)28(21-6-4-2)24-16-11-8-12-17-24/h13,18-19,22-24H,3-12,14-17,20-21H2,1-2H3.
What are the key properties of 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine?
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine has a molecular weight of 384.65 g/mol, XLogP of 7.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine is sourced from PubChem (CID 69065368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).