2-methylbutane-1,2,4-triamine

C5H15N3 — CID 87830484

IUPAC2-methylbutane-1,2,4-triamine
SMILESCC(N)(CN)CCN
InChIInChI=1S/C5H15N3/c1-5(8,4-7)2-3-6/h2-4,6-8H2,1H3
InChIKeySNLIHQONZJMESQ-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.99
Rot. Bonds3

About 2-methylbutane-1,2,4-triamine

2-methylbutane-1,2,4-triamine (PubChem CID 87830484) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 2-methylbutane-1,2,4-triamine.

Molecular Properties

Compound Name2-methylbutane-1,2,4-triamine
PubChem CID87830484
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name2-methylbutane-1,2,4-triamine
SMILESCC(N)(CN)CCN
InChIInChI=1S/C5H15N3/c1-5(8,4-7)2-3-6/h2-4,6-8H2,1H3
InChIKeySNLIHQONZJMESQ-UHFFFAOYSA-N
XLogP-0.99
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane-1,2,4-triamine?
The IUPAC name of 2-methylbutane-1,2,4-triamine (CID 87830484) is 2-methylbutane-1,2,4-triamine.
What is the SMILES notation for 2-methylbutane-1,2,4-triamine?
The canonical SMILES for 2-methylbutane-1,2,4-triamine is CC(N)(CN)CCN.
What is the InChIKey of 2-methylbutane-1,2,4-triamine?
The InChIKey is SNLIHQONZJMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-5(8,4-7)2-3-6/h2-4,6-8H2,1H3.
What are the key properties of 2-methylbutane-1,2,4-triamine?
2-methylbutane-1,2,4-triamine has a molecular weight of 117.20 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane-1,2,4-triamine is sourced from PubChem (CID 87830484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).