[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium

C7H18N3+ — CID 145229886

IUPAC[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium
SMILESCCC(CN)N/C=C(/C)[NH3+]
InChIInChI=1S/C7H17N3/c1-3-7(4-8)10-5-6(2)9/h5,7,10H,3-4,8-9H2,1-2H3/p+1/b6-5-
InChIKeyUOIOCJUJUAOHSF-WAYWQWQTSA-O
MW144.24 g/mol
LogP-0.58
Rot. Bonds4

About [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium

[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium (PubChem CID 145229886) has the molecular formula C7H18N3+ and a molecular weight of 144.24 g/mol. Its IUPAC name is [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium.

Molecular Properties

Compound Name[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium
PubChem CID145229886
Molecular FormulaC7H18N3+
Molecular Weight144.24 g/mol
Exact Mass144.15
IUPAC Name[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium
SMILESCCC(CN)N/C=C(/C)[NH3+]
InChIInChI=1S/C7H17N3/c1-3-7(4-8)10-5-6(2)9/h5,7,10H,3-4,8-9H2,1-2H3/p+1/b6-5-
InChIKeyUOIOCJUJUAOHSF-WAYWQWQTSA-O
XLogP-0.58
TPSA65.69 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium?
The IUPAC name of [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium (CID 145229886) is [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium.
What is the SMILES notation for [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium?
The canonical SMILES for [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium is CCC(CN)N/C=C(/C)[NH3+].
What is the InChIKey of [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium?
The InChIKey is UOIOCJUJUAOHSF-WAYWQWQTSA-O. The full InChI is InChI=1S/C7H17N3/c1-3-7(4-8)10-5-6(2)9/h5,7,10H,3-4,8-9H2,1-2H3/p+1/b6-5-.
What are the key properties of [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium?
[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium has a molecular weight of 144.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium is sourced from PubChem (CID 145229886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).