pentane-1,3,4-triamine

C5H15N3 — CID 18366520

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

About pentane-1,3,4-triamine

pentane-1,3,4-triamine (PubChem CID 18366520) has the molecular formula C5H15N3 and a molecular weight of 117.20 g/mol. Its IUPAC name is pentane-1,3,4-triamine.

Molecular Properties

Compound Namepentane-1,3,4-triamine
PubChem CID18366520
Molecular FormulaC5H15N3
Molecular Weight117.20 g/mol
Exact Mass117.13
IUPAC Namepentane-1,3,4-triamine
SMILESCC(N)C(N)CCN
InChIInChI=1S/C5H15N3/c1-4(7)5(8)2-3-6/h4-5H,2-3,6-8H2,1H3
InChIKeyBLZCCGIIJBNCTG-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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Related Compounds

1-N,1-N,2-trimethylpentane-1,3,5-triamine
CID 87352361
4-dihydroxysilylpentane-1,3-diamine
CID 173135737
nonane-1,3,4-triamine
CID 140867802
5-cyclopropylpentane-2,3-diamine
CID 123404811
(2S)-2-methylbutane-1,4-diamine
CID 51382069
4-[ethoxy(diethyl)silyl]pentane-1,3-diamine
CID 142714275
3-trimethoxysilylpentane-1,4-diamine
CID 18387104
(4R)-3-trimethoxysilylpentane-1,4-diamine
CID 174577695
4-aminobutane-2-thiol;hydrochloride
CID 86083804
ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
octane-1,3,6,8-tetramine
CID 18680656
(4S)-1,4-diaminohexan-3-ol
CID 149307886

Frequently Asked Questions

What is the IUPAC name of pentane-1,3,4-triamine?
The IUPAC name of pentane-1,3,4-triamine (CID 18366520) is pentane-1,3,4-triamine.
What is the SMILES notation for pentane-1,3,4-triamine?
The canonical SMILES for pentane-1,3,4-triamine is CC(N)C(N)CCN.
What is the InChIKey of pentane-1,3,4-triamine?
The InChIKey is BLZCCGIIJBNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3/c1-4(7)5(8)2-3-6/h4-5H,2-3,6-8H2,1H3.
What are the key properties of pentane-1,3,4-triamine?
pentane-1,3,4-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 pentane-1,3,4-triamine is sourced from PubChem (CID 18366520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).