2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine

C7H13N3 — CID 89173170

IUPAC2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine
SMILESC=C/C(CN)=N\C=C(\C)N
InChIInChI=1S/C7H13N3/c1-3-7(4-8)10-5-6(2)9/h3,5H,1,4,8-9H2,2H3/b6-5-,10-7+
InChIKeyLQHFASNTQKWRJQ-ZZWPSLBBSA-N
MW139.20 g/mol
LogP0.39
Rot. Bonds3

About 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine

2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine (PubChem CID 89173170) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine.

Molecular Properties

Compound Name2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine
PubChem CID89173170
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine
SMILESC=C/C(CN)=N\C=C(\C)N
InChIInChI=1S/C7H13N3/c1-3-7(4-8)10-5-6(2)9/h3,5H,1,4,8-9H2,2H3/b6-5-,10-7+
InChIKeyLQHFASNTQKWRJQ-ZZWPSLBBSA-N
XLogP0.39
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine?
The IUPAC name of 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine (CID 89173170) is 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine.
What is the SMILES notation for 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine?
The canonical SMILES for 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine is C=C/C(CN)=N\C=C(\C)N.
What is the InChIKey of 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine?
The InChIKey is LQHFASNTQKWRJQ-ZZWPSLBBSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-7(4-8)10-5-6(2)9/h3,5H,1,4,8-9H2,2H3/b6-5-,10-7+.
What are the key properties of 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine?
2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-aminoprop-1-enyl]iminobut-3-en-1-amine is sourced from PubChem (CID 89173170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).