N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine

C7H14N2 — CID 166737249

IUPACN-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine
SMILESCC/C=C\C(C)=N\NC
InChIInChI=1S/C7H14N2/c1-4-5-6-7(2)9-8-3/h5-6,8H,4H2,1-3H3/b6-5-,9-7+
InChIKeyHHQGEYBBYMEFPD-BZWSEGBZSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds3

About N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine

N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine (PubChem CID 166737249) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine
PubChem CID166737249
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine
SMILESCC/C=C\C(C)=N\NC
InChIInChI=1S/C7H14N2/c1-4-5-6-7(2)9-8-3/h5-6,8H,4H2,1-3H3/b6-5-,9-7+
InChIKeyHHQGEYBBYMEFPD-BZWSEGBZSA-N
XLogP1.55
TPSA24.39 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine (CID 166737249) is N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine is CC/C=C\C(C)=N\NC.
What is the InChIKey of N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine?
The InChIKey is HHQGEYBBYMEFPD-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-6-7(2)9-8-3/h5-6,8H,4H2,1-3H3/b6-5-,9-7+.
What are the key properties of N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine?
N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine has a molecular weight of 126.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-hex-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 166737249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).