pent-2-ene-1,1,1-triamine

C5H13N3 — CID 91102245

IUPACpent-2-ene-1,1,1-triamine
SMILESCCC=CC(N)(N)N
InChIInChI=1S/C5H13N3/c1-2-3-4-5(6,7)8/h3-4H,2,6-8H2,1H3
InChIKeyDIFAUPDWGVJUGQ-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.52
Rot. Bonds2

About pent-2-ene-1,1,1-triamine

pent-2-ene-1,1,1-triamine (PubChem CID 91102245) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is pent-2-ene-1,1,1-triamine.

Molecular Properties

Compound Namepent-2-ene-1,1,1-triamine
PubChem CID91102245
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Namepent-2-ene-1,1,1-triamine
SMILESCCC=CC(N)(N)N
InChIInChI=1S/C5H13N3/c1-2-3-4-5(6,7)8/h3-4H,2,6-8H2,1H3
InChIKeyDIFAUPDWGVJUGQ-UHFFFAOYSA-N
XLogP-0.52
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,2-dimethylhex-3-ene
CID 5357261
1,1,1-trifluoro-2,2-bis(trifluoromethyl)hex-3-ene
CID 54506963
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
5-but-1-enyl-5-prop-2-enylnona-3,6-diene
CID 173069698
[(E)-3-ethylhept-4-en-3-yl]azanium chloride
CID 6434664
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
but-1-ene;(Z)-pent-2-ene
CID 156866422
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
germane;pent-2-ene
CID 174678272
CID 162303422
CID 162303422
[(E)-2-methylhex-3-en-2-yl]oxysilane
CID 173198627

Frequently Asked Questions

What is the IUPAC name of pent-2-ene-1,1,1-triamine?
The IUPAC name of pent-2-ene-1,1,1-triamine (CID 91102245) is pent-2-ene-1,1,1-triamine.
What is the SMILES notation for pent-2-ene-1,1,1-triamine?
The canonical SMILES for pent-2-ene-1,1,1-triamine is CCC=CC(N)(N)N.
What is the InChIKey of pent-2-ene-1,1,1-triamine?
The InChIKey is DIFAUPDWGVJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-2-3-4-5(6,7)8/h3-4H,2,6-8H2,1H3.
What are the key properties of pent-2-ene-1,1,1-triamine?
pent-2-ene-1,1,1-triamine has a molecular weight of 115.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-ene-1,1,1-triamine is sourced from PubChem (CID 91102245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).