butane-1,2,3-triamine

C4H13N3 — CID 22146059

IUPACbutane-1,2,3-triamine
SMILESCC(N)C(N)CN
InChIInChI=1S/C4H13N3/c1-3(6)4(7)2-5/h3-4H,2,5-7H2,1H3
InChIKeyKHWKJOWCVMBKOK-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.38
Rot. Bonds2

About butane-1,2,3-triamine

butane-1,2,3-triamine (PubChem CID 22146059) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is butane-1,2,3-triamine.

Molecular Properties

Compound Namebutane-1,2,3-triamine
PubChem CID22146059
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Namebutane-1,2,3-triamine
SMILESCC(N)C(N)CN
InChIInChI=1S/C4H13N3/c1-3(6)4(7)2-5/h3-4H,2,5-7H2,1H3
InChIKeyKHWKJOWCVMBKOK-UHFFFAOYSA-N
XLogP-1.38
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butane-1,2,3-triamine?
The IUPAC name of butane-1,2,3-triamine (CID 22146059) is butane-1,2,3-triamine.
What is the SMILES notation for butane-1,2,3-triamine?
The canonical SMILES for butane-1,2,3-triamine is CC(N)C(N)CN.
What is the InChIKey of butane-1,2,3-triamine?
The InChIKey is KHWKJOWCVMBKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-3(6)4(7)2-5/h3-4H,2,5-7H2,1H3.
What are the key properties of butane-1,2,3-triamine?
butane-1,2,3-triamine has a molecular weight of 103.17 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3-triamine is sourced from PubChem (CID 22146059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).