1-[(Z)-prop-1-enyl]iminobutan-2-amine

C7H14N2 — CID 146409780

IUPAC1-[(Z)-prop-1-enyl]iminobutan-2-amine
SMILESC/C=C\N=C\C(N)CC
InChIInChI=1S/C7H14N2/c1-3-5-9-6-7(8)4-2/h3,5-7H,4,8H2,1-2H3/b5-3-,9-6+
InChIKeyPQXIQIYLQZUUPC-PAEKIZANSA-N
MW126.20 g/mol
LogP1.33
Rot. Bonds3

About 1-[(Z)-prop-1-enyl]iminobutan-2-amine

1-[(Z)-prop-1-enyl]iminobutan-2-amine (PubChem CID 146409780) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]iminobutan-2-amine.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]iminobutan-2-amine
PubChem CID146409780
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-[(Z)-prop-1-enyl]iminobutan-2-amine
SMILESC/C=C\N=C\C(N)CC
InChIInChI=1S/C7H14N2/c1-3-5-9-6-7(8)4-2/h3,5-7H,4,8H2,1-2H3/b5-3-,9-6+
InChIKeyPQXIQIYLQZUUPC-PAEKIZANSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-[(Z)-prop-1-enyl]iminobutan-2-amine?
The IUPAC name of 1-[(Z)-prop-1-enyl]iminobutan-2-amine (CID 146409780) is 1-[(Z)-prop-1-enyl]iminobutan-2-amine.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]iminobutan-2-amine?
The canonical SMILES for 1-[(Z)-prop-1-enyl]iminobutan-2-amine is C/C=C\N=C\C(N)CC.
What is the InChIKey of 1-[(Z)-prop-1-enyl]iminobutan-2-amine?
The InChIKey is PQXIQIYLQZUUPC-PAEKIZANSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-9-6-7(8)4-2/h3,5-7H,4,8H2,1-2H3/b5-3-,9-6+.
What are the key properties of 1-[(Z)-prop-1-enyl]iminobutan-2-amine?
1-[(Z)-prop-1-enyl]iminobutan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]iminobutan-2-amine is sourced from PubChem (CID 146409780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).