N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine

C7H12N2 — CID 90248299

IUPACN-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine
SMILESC=CCN/N=C(/C)C=C
InChIInChI=1S/C7H12N2/c1-4-6-8-9-7(3)5-2/h4-5,8H,1-2,6H2,3H3/b9-7-
InChIKeyDRBUITZODGQTSX-CLFYSBASSA-N
MW124.19 g/mol
LogP1.32
Rot. Bonds4

About N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine

N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine (PubChem CID 90248299) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine
PubChem CID90248299
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine
SMILESC=CCN/N=C(/C)C=C
InChIInChI=1S/C7H12N2/c1-4-6-8-9-7(3)5-2/h4-5,8H,1-2,6H2,3H3/b9-7-
InChIKeyDRBUITZODGQTSX-CLFYSBASSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine?
The IUPAC name of N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine (CID 90248299) is N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine.
What is the SMILES notation for N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine?
The canonical SMILES for N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine is C=CCN/N=C(/C)C=C.
What is the InChIKey of N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine?
The InChIKey is DRBUITZODGQTSX-CLFYSBASSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6-8-9-7(3)5-2/h4-5,8H,1-2,6H2,3H3/b9-7-.
What are the key properties of N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine?
N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-3-en-2-ylideneamino]prop-2-en-1-amine is sourced from PubChem (CID 90248299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).