4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine

C22H30N2 — CID 23882631

IUPAC4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N(CCCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2/c23-21-13-15-22(16-14-21)24(18-20-10-5-2-6-11-20)17-7-12-19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-18,23H2
InChIKeySDAXAIPCEVYCBF-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.39
Rot. Bonds7

About 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine

4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine (PubChem CID 23882631) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
PubChem CID23882631
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N(CCCc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C22H30N2/c23-21-13-15-22(16-14-21)24(18-20-10-5-2-6-11-20)17-7-12-19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-18,23H2
InChIKeySDAXAIPCEVYCBF-UHFFFAOYSA-N
XLogP4.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-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

4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
4-N-methyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 79121272
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
4-amino-1-[4-(dibenzylamino)-1-hydroxycyclohexyl]cyclohexan-1-ol
CID 175052692
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
N,N-dibenzylcyclobutanamine
CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
N'-benzyl-N'-(1,1-dioxothian-4-yl)propane-1,3-diamine
CID 107365146
2-[2-[2-[2-[2-(4-aminocyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[4-(dibenzylamino)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol;methane
CID 165107328
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 107365088
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 114334768

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine (CID 23882631) is 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine is NC1CCC(N(CCCc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
The InChIKey is SDAXAIPCEVYCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c23-21-13-15-22(16-14-21)24(18-20-10-5-2-6-11-20)17-7-12-19-8-3-1-4-9-19/h1-6,8-11,21-22H,7,12-18,23H2.
What are the key properties of 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine?
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine has a molecular weight of 322.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 23882631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).