(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine

C9H14N2 — CID 134286725

IUPAC(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine
SMILESC=C/C(=C/C)N(/C=C\C)N=C
InChIInChI=1S/C9H14N2/c1-5-8-11(10-4)9(6-2)7-3/h5-8H,2,4H2,1,3H3/b8-5-,9-7-
InChIKeyPXUBQGJWQLJZIV-IOUWKBNPSA-N
MW150.22 g/mol
LogP2.53
Rot. Bonds4

About (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine

(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine (PubChem CID 134286725) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine
PubChem CID134286725
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine
SMILESC=C/C(=C/C)N(/C=C\C)N=C
InChIInChI=1S/C9H14N2/c1-5-8-11(10-4)9(6-2)7-3/h5-8H,2,4H2,1,3H3/b8-5-,9-7-
InChIKeyPXUBQGJWQLJZIV-IOUWKBNPSA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine?
The IUPAC name of (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine (CID 134286725) is (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine is C=C/C(=C/C)N(/C=C\C)N=C.
What is the InChIKey of (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine?
The InChIKey is PXUBQGJWQLJZIV-IOUWKBNPSA-N. The full InChI is InChI=1S/C9H14N2/c1-5-8-11(10-4)9(6-2)7-3/h5-8H,2,4H2,1,3H3/b8-5-,9-7-.
What are the key properties of (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine?
(3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine has a molecular weight of 150.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(methylideneamino)-N-[(Z)-prop-1-enyl]penta-1,3-dien-3-amine is sourced from PubChem (CID 134286725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).