2-methylpentane-1,3,4-triamine

C6H17N3 — CID 172814468

IUPAC2-methylpentane-1,3,4-triamine
SMILESCC(N)C(N)C(C)CN
InChIInChI=1S/C6H17N3/c1-4(3-7)6(9)5(2)8/h4-6H,3,7-9H2,1-2H3
InChIKeySPYJLBKSFXLITJ-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.74
Rot. Bonds3

About 2-methylpentane-1,3,4-triamine

2-methylpentane-1,3,4-triamine (PubChem CID 172814468) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-methylpentane-1,3,4-triamine.

Molecular Properties

Compound Name2-methylpentane-1,3,4-triamine
PubChem CID172814468
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name2-methylpentane-1,3,4-triamine
SMILESCC(N)C(N)C(C)CN
InChIInChI=1S/C6H17N3/c1-4(3-7)6(9)5(2)8/h4-6H,3,7-9H2,1-2H3
InChIKeySPYJLBKSFXLITJ-UHFFFAOYSA-N
XLogP-0.74
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-1,3,4-triamine?
The IUPAC name of 2-methylpentane-1,3,4-triamine (CID 172814468) is 2-methylpentane-1,3,4-triamine.
What is the SMILES notation for 2-methylpentane-1,3,4-triamine?
The canonical SMILES for 2-methylpentane-1,3,4-triamine is CC(N)C(N)C(C)CN.
What is the InChIKey of 2-methylpentane-1,3,4-triamine?
The InChIKey is SPYJLBKSFXLITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-4(3-7)6(9)5(2)8/h4-6H,3,7-9H2,1-2H3.
What are the key properties of 2-methylpentane-1,3,4-triamine?
2-methylpentane-1,3,4-triamine has a molecular weight of 131.22 g/mol, XLogP of -0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-1,3,4-triamine is sourced from PubChem (CID 172814468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).