N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine

C14H26N2 — CID 71063508

IUPACN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCC1=CCCC=C1
InChIInChI=1S/C14H26N2/c1-15-11-7-2-3-8-12-16-13-14-9-5-4-6-10-14/h5,9-10,15-16H,2-4,6-8,11-13H2,1H3
InChIKeyXASNYKXYYBRQHN-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.63
Rot. Bonds9

About N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine

N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine (PubChem CID 71063508) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
PubChem CID71063508
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCC1=CCCC=C1
InChIInChI=1S/C14H26N2/c1-15-11-7-2-3-8-12-16-13-14-9-5-4-6-10-14/h5,9-10,15-16H,2-4,6-8,11-13H2,1H3
InChIKeyXASNYKXYYBRQHN-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-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'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
The IUPAC name of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine (CID 71063508) is N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine.
What is the SMILES notation for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
The canonical SMILES for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine is CNCCCCCCNCC1=CCCC=C1.
What is the InChIKey of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
The InChIKey is XASNYKXYYBRQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-15-11-7-2-3-8-12-16-13-14-9-5-4-6-10-14/h5,9-10,15-16H,2-4,6-8,11-13H2,1H3.
What are the key properties of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine is sourced from PubChem (CID 71063508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).