3-methylbutane-1,2,3-triamine

C5H15N3 — CID 87261273

IUPAC3-methylbutane-1,2,3-triamine
SMILESCC(C)(N)C(N)CN
InChIInChI=1S/C5H15N3/c1-5(2,8)4(7)3-6/h4H,3,6-8H2,1-2H3
InChIKeyFFKKQXILXGFRAL-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.99
Rot. Bonds2

About 3-methylbutane-1,2,3-triamine

3-methylbutane-1,2,3-triamine (PubChem CID 87261273) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is 3-methylbutane-1,2,3-triamine.

Molecular Properties

Compound Name3-methylbutane-1,2,3-triamine
PubChem CID87261273
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Name3-methylbutane-1,2,3-triamine
SMILESCC(C)(N)C(N)CN
InChIInChI=1S/C5H15N3/c1-5(2,8)4(7)3-6/h4H,3,6-8H2,1-2H3
InChIKeyFFKKQXILXGFRAL-UHFFFAOYSA-N
XLogP-0.99
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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 3-methylbutane-1,2,3-triamine?
The IUPAC name of 3-methylbutane-1,2,3-triamine (CID 87261273) is 3-methylbutane-1,2,3-triamine.
What is the SMILES notation for 3-methylbutane-1,2,3-triamine?
The canonical SMILES for 3-methylbutane-1,2,3-triamine is CC(C)(N)C(N)CN.
What is the InChIKey of 3-methylbutane-1,2,3-triamine?
The InChIKey is FFKKQXILXGFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-5(2,8)4(7)3-6/h4H,3,6-8H2,1-2H3.
What are the key properties of 3-methylbutane-1,2,3-triamine?
3-methylbutane-1,2,3-triamine has a molecular weight of 117.20 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutane-1,2,3-triamine is sourced from PubChem (CID 87261273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).