[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide

C16H26N4O2 — CID 121330510

IUPAC[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)cc1.NCC1CCCC(CN)C1
InChIInChI=1S/C8H8N2O2.C8H18N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-2-1-3-8(4-7)6-10/h1-4H,(H2,9,11)(H2,10,12);7-8H,1-6,9-10H2
InChIKeyKIXBZFKSFFHEBZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.59
Rot. Bonds4

About [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide

[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide (PubChem CID 121330510) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide
PubChem CID121330510
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(N)=O)cc1.NCC1CCCC(CN)C1
InChIInChI=1S/C8H8N2O2.C8H18N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-2-1-3-8(4-7)6-10/h1-4H,(H2,9,11)(H2,10,12);7-8H,1-6,9-10H2
InChIKeyKIXBZFKSFFHEBZ-UHFFFAOYSA-N
XLogP0.59
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide 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 [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide?
The IUPAC name of [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide (CID 121330510) is [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide.
What is the SMILES notation for [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide?
The canonical SMILES for [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(N)=O)cc1.NCC1CCCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide?
The InChIKey is KIXBZFKSFFHEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.C8H18N2/c9-7(11)5-1-2-6(4-3-5)8(10)12;9-5-7-2-1-3-8(4-7)6-10/h1-4H,(H2,9,11)(H2,10,12);7-8H,1-6,9-10H2.
What are the key properties of [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide?
[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 0.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide is sourced from PubChem (CID 121330510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).