N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine

C18H30N2 — CID 114334768

IUPACN'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
SMILESNCCN(CCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H30N2/c19-14-16-20(18-12-5-2-6-13-18)15-8-7-11-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16,19H2
InChIKeyHTHDIGPFICDHHB-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.60
Rot. Bonds8

About N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine

N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine (PubChem CID 114334768) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
PubChem CID114334768
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine
SMILESNCCN(CCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C18H30N2/c19-14-16-20(18-12-5-2-6-13-18)15-8-7-11-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16,19H2
InChIKeyHTHDIGPFICDHHB-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-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(3-phenylpropyl)amino]propanoic acid
CID 82329050
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114334223
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
3-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 60838690
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
4-[3-[cyclohexyl(ethyl)amino]propyl]aniline
CID 115341723
6-[2-aminoethyl(cyclobutyl)amino]hexan-1-ol
CID 107707010
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine (CID 114334768) is N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine is NCCN(CCCCc1ccccc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine?
The InChIKey is HTHDIGPFICDHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c19-14-16-20(18-12-5-2-6-13-18)15-8-7-11-17-9-3-1-4-10-17/h1,3-4,9-10,18H,2,5-8,11-16,19H2.
What are the key properties of N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(4-phenylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 114334768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).