(E)-N-(methylideneamino)hex-3-en-3-amine

C7H14N2 — CID 126654045

IUPAC(E)-N-(methylideneamino)hex-3-en-3-amine
SMILESC=NN/C(=C/CC)CC
InChIInChI=1S/C7H14N2/c1-4-6-7(5-2)9-8-3/h6,9H,3-5H2,1-2H3/b7-6+
InChIKeyKQHBLHYWOVHLQO-VOTSOKGWSA-N
MW126.20 g/mol
LogP1.90
Rot. Bonds4

About (E)-N-(methylideneamino)hex-3-en-3-amine

(E)-N-(methylideneamino)hex-3-en-3-amine (PubChem CID 126654045) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N-(methylideneamino)hex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-(methylideneamino)hex-3-en-3-amine
PubChem CID126654045
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N-(methylideneamino)hex-3-en-3-amine
SMILESC=NN/C(=C/CC)CC
InChIInChI=1S/C7H14N2/c1-4-6-7(5-2)9-8-3/h6,9H,3-5H2,1-2H3/b7-6+
InChIKeyKQHBLHYWOVHLQO-VOTSOKGWSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.90
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 (E)-N-(methylideneamino)hex-3-en-3-amine?
The IUPAC name of (E)-N-(methylideneamino)hex-3-en-3-amine (CID 126654045) is (E)-N-(methylideneamino)hex-3-en-3-amine.
What is the SMILES notation for (E)-N-(methylideneamino)hex-3-en-3-amine?
The canonical SMILES for (E)-N-(methylideneamino)hex-3-en-3-amine is C=NN/C(=C/CC)CC.
What is the InChIKey of (E)-N-(methylideneamino)hex-3-en-3-amine?
The InChIKey is KQHBLHYWOVHLQO-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6-7(5-2)9-8-3/h6,9H,3-5H2,1-2H3/b7-6+.
What are the key properties of (E)-N-(methylideneamino)hex-3-en-3-amine?
(E)-N-(methylideneamino)hex-3-en-3-amine has a molecular weight of 126.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(methylideneamino)hex-3-en-3-amine is sourced from PubChem (CID 126654045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).