1-imino-N-prop-2-enylbutan-2-amine

C7H14N2 — CID 169257245

IUPAC1-imino-N-prop-2-enylbutan-2-amine
SMILES[H]/N=C/C(CC)NCC=C
InChIInChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h3,6-9H,1,4-5H2,2H3/b8-6+
InChIKeyZQRSMVRIWUQJML-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds5

About 1-imino-N-prop-2-enylbutan-2-amine

1-imino-N-prop-2-enylbutan-2-amine (PubChem CID 169257245) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-imino-N-prop-2-enylbutan-2-amine.

Molecular Properties

Compound Name1-imino-N-prop-2-enylbutan-2-amine
PubChem CID169257245
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-imino-N-prop-2-enylbutan-2-amine
SMILES[H]/N=C/C(CC)NCC=C
InChIInChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h3,6-9H,1,4-5H2,2H3/b8-6+
InChIKeyZQRSMVRIWUQJML-SOFGYWHQSA-N
XLogP1.19
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-imino-N-prop-2-enylbutan-2-amine?
The IUPAC name of 1-imino-N-prop-2-enylbutan-2-amine (CID 169257245) is 1-imino-N-prop-2-enylbutan-2-amine.
What is the SMILES notation for 1-imino-N-prop-2-enylbutan-2-amine?
The canonical SMILES for 1-imino-N-prop-2-enylbutan-2-amine is [H]/N=C/C(CC)NCC=C.
What is the InChIKey of 1-imino-N-prop-2-enylbutan-2-amine?
The InChIKey is ZQRSMVRIWUQJML-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-9-7(4-2)6-8/h3,6-9H,1,4-5H2,2H3/b8-6+.
What are the key properties of 1-imino-N-prop-2-enylbutan-2-amine?
1-imino-N-prop-2-enylbutan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-N-prop-2-enylbutan-2-amine is sourced from PubChem (CID 169257245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).