N'-cyclohexyl-2-methylbutane-1,4-diamine

C11H24N2 — CID 11542887

IUPACN'-cyclohexyl-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNC1CCCCC1
InChIInChI=1S/C11H24N2/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h10-11,13H,2-9,12H2,1H3
InChIKeyJLRCKFYJDYYXQL-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds5

About N'-cyclohexyl-2-methylbutane-1,4-diamine

N'-cyclohexyl-2-methylbutane-1,4-diamine (PubChem CID 11542887) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-cyclohexyl-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-2-methylbutane-1,4-diamine
PubChem CID11542887
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-cyclohexyl-2-methylbutane-1,4-diamine
SMILESCC(CN)CCNC1CCCCC1
InChIInChI=1S/C11H24N2/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h10-11,13H,2-9,12H2,1H3
InChIKeyJLRCKFYJDYYXQL-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-cyclohexyl-2-methylbutane-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

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-methylbutane-1,4-diamine?
The IUPAC name of N'-cyclohexyl-2-methylbutane-1,4-diamine (CID 11542887) is N'-cyclohexyl-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclohexyl-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-cyclohexyl-2-methylbutane-1,4-diamine is CC(CN)CCNC1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2-methylbutane-1,4-diamine?
The InChIKey is JLRCKFYJDYYXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(9-12)7-8-13-11-5-3-2-4-6-11/h10-11,13H,2-9,12H2,1H3.
What are the key properties of N'-cyclohexyl-2-methylbutane-1,4-diamine?
N'-cyclohexyl-2-methylbutane-1,4-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-methylbutane-1,4-diamine is sourced from PubChem (CID 11542887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).