7-methylundecane-1,5,11-triamine

C12H29N3 — CID 20606517

IUPAC7-methylundecane-1,5,11-triamine
SMILESCC(CCCCN)CC(N)CCCCN
InChIInChI=1S/C12H29N3/c1-11(6-2-4-8-13)10-12(15)7-3-5-9-14/h11-12H,2-10,13-15H2,1H3
InChIKeyRWVLJKAAETZYKJ-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.60
Rot. Bonds10

About 7-methylundecane-1,5,11-triamine

7-methylundecane-1,5,11-triamine (PubChem CID 20606517) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 7-methylundecane-1,5,11-triamine.

Molecular Properties

Compound Name7-methylundecane-1,5,11-triamine
PubChem CID20606517
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name7-methylundecane-1,5,11-triamine
SMILESCC(CCCCN)CC(N)CCCCN
InChIInChI=1S/C12H29N3/c1-11(6-2-4-8-13)10-12(15)7-3-5-9-14/h11-12H,2-10,13-15H2,1H3
InChIKeyRWVLJKAAETZYKJ-UHFFFAOYSA-N
XLogP1.60
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methylundecane-1,5,11-triamine 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

4,4'-Diaminodicyclohexylmethane
CID 15660
1,3-Dimethylamylamine
CID 7753
Octodrine
CID 10982
2-Ethylhexylamine
CID 7719
1,8-Octanediamine, 4-(aminomethyl)-
CID 94211
1-Cyclohexylethan-1-amine hydrochloride
CID 214023
1-Cyclohexylethylamine
CID 110733
1-Cyclohexylpropan-2-amine
CID 115665
(S)-(+)-1-Cyclohexylethylamine
CID 5325951
(-)-1-Cyclohexylethylamine
CID 10997046
1,6-Hexanediamine, C,C,C-trimethyl-
CID 3033875
Tridecylamine, branched and linear
CID 22833454

Frequently Asked Questions

What is the IUPAC name of 7-methylundecane-1,5,11-triamine?
The IUPAC name of 7-methylundecane-1,5,11-triamine (CID 20606517) is 7-methylundecane-1,5,11-triamine.
What is the SMILES notation for 7-methylundecane-1,5,11-triamine?
The canonical SMILES for 7-methylundecane-1,5,11-triamine is CC(CCCCN)CC(N)CCCCN.
What is the InChIKey of 7-methylundecane-1,5,11-triamine?
The InChIKey is RWVLJKAAETZYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(6-2-4-8-13)10-12(15)7-3-5-9-14/h11-12H,2-10,13-15H2,1H3.
What are the key properties of 7-methylundecane-1,5,11-triamine?
7-methylundecane-1,5,11-triamine has a molecular weight of 215.38 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylundecane-1,5,11-triamine is sourced from PubChem (CID 20606517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).