(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine

C9H14N2 — CID 123397251

IUPAC(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine
SMILESC=N/C=C(C(=C)C)\C(C)=N\C
InChIInChI=1S/C9H14N2/c1-7(2)9(6-10-4)8(3)11-5/h6H,1,4H2,2-3,5H3/b9-6-,11-8+
InChIKeyXZWPGQKGNKKCQD-DJAXYUIYSA-N
MW150.22 g/mol
LogP2.24
Rot. Bonds3

About (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine

(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine (PubChem CID 123397251) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine.

Molecular Properties

Compound Name(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine
PubChem CID123397251
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine
SMILESC=N/C=C(C(=C)C)\C(C)=N\C
InChIInChI=1S/C9H14N2/c1-7(2)9(6-10-4)8(3)11-5/h6H,1,4H2,2-3,5H3/b9-6-,11-8+
InChIKeyXZWPGQKGNKKCQD-DJAXYUIYSA-N
XLogP2.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine?
The IUPAC name of (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine (CID 123397251) is (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine.
What is the SMILES notation for (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine?
The canonical SMILES for (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine is C=N/C=C(C(=C)C)\C(C)=N\C.
What is the InChIKey of (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine?
The InChIKey is XZWPGQKGNKKCQD-DJAXYUIYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)9(6-10-4)8(3)11-5/h6H,1,4H2,2-3,5H3/b9-6-,11-8+.
What are the key properties of (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine?
(3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine has a molecular weight of 150.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,4-dimethyl-3-[(methylideneamino)methylidene]pent-4-en-2-imine is sourced from PubChem (CID 123397251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).