butane-1,2,2-triamine

C4H13N3 — CID 19824437

IUPACbutane-1,2,2-triamine
SMILESCCC(N)(N)CN
InChIInChI=1S/C4H13N3/c1-2-4(6,7)3-5/h2-3,5-7H2,1H3
InChIKeyQQXRNHOIQAMNOF-UHFFFAOYSA-N
MW103.17 g/mol
LogP-1.03
Rot. Bonds2

About butane-1,2,2-triamine

butane-1,2,2-triamine (PubChem CID 19824437) has the molecular formula C4H13N3 and a molecular weight of 103.17 g/mol. Its IUPAC name is butane-1,2,2-triamine.

Molecular Properties

Compound Namebutane-1,2,2-triamine
PubChem CID19824437
Molecular FormulaC4H13N3
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Namebutane-1,2,2-triamine
SMILESCCC(N)(N)CN
InChIInChI=1S/C4H13N3/c1-2-4(6,7)3-5/h2-3,5-7H2,1H3
InChIKeyQQXRNHOIQAMNOF-UHFFFAOYSA-N
XLogP-1.03
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 ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexane-3,3-diamine
CID 18331048
2,2-diethyl-3,3-dimethylpentan-1-amine
CID 166876877
2,2-diethylbutan-1-amine;hydrochloride
CID 71756050
2-ethylbutane-1,2,4-triamine
CID 88635089
1-amino-3,3-dimethylpentane-2,2-diol
CID 87668093
1-aminobutane-2,2-diol
CID 158169246
2-(2,2-dimethylbutyl)-4,4-dimethylhexane-1,2-diamine
CID 23346633
1,1-dibromopropan-1-amine
CID 130016828
2-methylbutan-2-amine;hydrate
CID 173000674
2-methylbutan-2-amine;propane
CID 91035545
2-methoxybutan-2-amine
CID 21116415
3-ethylpentane-1,3-diamine
CID 22019015

Frequently Asked Questions

What is the IUPAC name of butane-1,2,2-triamine?
The IUPAC name of butane-1,2,2-triamine (CID 19824437) is butane-1,2,2-triamine.
What is the SMILES notation for butane-1,2,2-triamine?
The canonical SMILES for butane-1,2,2-triamine is CCC(N)(N)CN.
What is the InChIKey of butane-1,2,2-triamine?
The InChIKey is QQXRNHOIQAMNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3/c1-2-4(6,7)3-5/h2-3,5-7H2,1H3.
What are the key properties of butane-1,2,2-triamine?
butane-1,2,2-triamine has a molecular weight of 103.17 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,2-triamine is sourced from PubChem (CID 19824437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).