[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium

C6H16N3+ — CID 172627963

IUPAC[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium
SMILESC/C([NH3+])=C/N(N)C(C)C
InChIInChI=1S/C6H15N3/c1-5(2)9(8)4-6(3)7/h4-5H,7-8H2,1-3H3/p+1/b6-4-
InChIKeyUWLFREDGWQIBNL-XQRVVYSFSA-O
MW130.21 g/mol
LogP-0.33
Rot. Bonds2

About [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium

[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium (PubChem CID 172627963) has the molecular formula C6H16N3+ and a molecular weight of 130.21 g/mol. Its IUPAC name is [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium.

Molecular Properties

Compound Name[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium
PubChem CID172627963
Molecular FormulaC6H16N3+
Molecular Weight130.21 g/mol
Exact Mass130.13
IUPAC Name[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium
SMILESC/C([NH3+])=C/N(N)C(C)C
InChIInChI=1S/C6H15N3/c1-5(2)9(8)4-6(3)7/h4-5H,7-8H2,1-3H3/p+1/b6-4-
InChIKeyUWLFREDGWQIBNL-XQRVVYSFSA-O
XLogP-0.33
TPSA56.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2,4-Trimethyl-triazole
CID 129788352
(Z)-1-[amino(fluoromethyl)amino]prop-1-en-2-amine
CID 155330072
(Z)-1-[amino(propan-2-yl)amino]-3,3-difluoroprop-1-en-2-amine
CID 156637586
(Z)-1-[amino(2-fluoroethyl)amino]prop-1-en-2-amine
CID 167115798
(Z)-2-[2-(2-fluoropropyl)-2-methylhydrazinyl]prop-1-en-1-amine
CID 144354242
1,1-Dimethyl-2-prop-1-en-2-ylhydrazine
CID 15122452
3,5-Dimethyl-1,2-dihydrotriazole
CID 59556528
3-Ethyl-5-methyl-1,2-dihydrotriazole
CID 89956330
(Z)-1-[amino(methyl)amino]prop-1-en-2-amine
CID 90246876
1,3,4-trimethyl-2H-triazole
CID 90880461
1-butan-2-yl-3,4-dimethyl-2H-triazole
CID 91535523
1-Propan-2-yl-1-prop-1-en-2-ylhydrazine
CID 123720991

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium?
The IUPAC name of [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium (CID 172627963) is [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium.
What is the SMILES notation for [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium?
The canonical SMILES for [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium is C/C([NH3+])=C/N(N)C(C)C.
What is the InChIKey of [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium?
The InChIKey is UWLFREDGWQIBNL-XQRVVYSFSA-O. The full InChI is InChI=1S/C6H15N3/c1-5(2)9(8)4-6(3)7/h4-5H,7-8H2,1-3H3/p+1/b6-4-.
What are the key properties of [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium?
[(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium has a molecular weight of 130.21 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-yl]azanium is sourced from PubChem (CID 172627963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).