1-N,5-N,7-N-trimethyloctane-1,5,7-triamine

C11H27N3 — CID 174431293

IUPAC1-N,5-N,7-N-trimethyloctane-1,5,7-triamine
SMILESCNCCCCC(CC(C)NC)NC
InChIInChI=1S/C11H27N3/c1-10(13-3)9-11(14-4)7-5-6-8-12-2/h10-14H,5-9H2,1-4H3
InChIKeyVUDCOJWTWUDZAV-UHFFFAOYSA-N
MW201.36 g/mol
LogP0.96
Rot. Bonds9

About 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine

1-N,5-N,7-N-trimethyloctane-1,5,7-triamine (PubChem CID 174431293) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine.

Molecular Properties

Compound Name1-N,5-N,7-N-trimethyloctane-1,5,7-triamine
PubChem CID174431293
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name1-N,5-N,7-N-trimethyloctane-1,5,7-triamine
SMILESCNCCCCC(CC(C)NC)NC
InChIInChI=1S/C11H27N3/c1-10(13-3)9-11(14-4)7-5-6-8-12-2/h10-14H,5-9H2,1-4H3
InChIKeyVUDCOJWTWUDZAV-UHFFFAOYSA-N
XLogP0.96
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine?
The IUPAC name of 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine (CID 174431293) is 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine.
What is the SMILES notation for 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine?
The canonical SMILES for 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine is CNCCCCC(CC(C)NC)NC.
What is the InChIKey of 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine?
The InChIKey is VUDCOJWTWUDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-10(13-3)9-11(14-4)7-5-6-8-12-2/h10-14H,5-9H2,1-4H3.
What are the key properties of 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine?
1-N,5-N,7-N-trimethyloctane-1,5,7-triamine has a molecular weight of 201.36 g/mol, XLogP of 0.96, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N,7-N-trimethyloctane-1,5,7-triamine is sourced from PubChem (CID 174431293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).