pentane-1,2,3-triamine

C5H15N3 — CID 22027503

IUPACpentane-1,2,3-triamine
SMILESCCC(N)C(N)CN
InChIInChI=1S/C5H15N3/c1-2-4(7)5(8)3-6/h4-5H,2-3,6-8H2,1H3
InChIKeyWKQXKMPAJBDQGB-UHFFFAOYSA-N
MW117.20 g/mol
LogP-0.99
Rot. Bonds3

About pentane-1,2,3-triamine

pentane-1,2,3-triamine (PubChem CID 22027503) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is pentane-1,2,3-triamine.

Molecular Properties

Compound Namepentane-1,2,3-triamine
PubChem CID22027503
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Namepentane-1,2,3-triamine
SMILESCCC(N)C(N)CN
InChIInChI=1S/C5H15N3/c1-2-4(7)5(8)3-6/h4-5H,2-3,6-8H2,1H3
InChIKeyWKQXKMPAJBDQGB-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 pentane-1,2,3-triamine?
The IUPAC name of pentane-1,2,3-triamine (CID 22027503) is pentane-1,2,3-triamine.
What is the SMILES notation for pentane-1,2,3-triamine?
The canonical SMILES for pentane-1,2,3-triamine is CCC(N)C(N)CN.
What is the InChIKey of pentane-1,2,3-triamine?
The InChIKey is WKQXKMPAJBDQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-2-4(7)5(8)3-6/h4-5H,2-3,6-8H2,1H3.
What are the key properties of pentane-1,2,3-triamine?
pentane-1,2,3-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 pentane-1,2,3-triamine is sourced from PubChem (CID 22027503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).