(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine

C8H14N2 — CID 126536976

IUPAC(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C=C\C(=C/C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-8(10(3)4)6-7-9-2/h5-7H,2H2,1,3-4H3/b7-6-,8-5+
InChIKeyIVPIWHFOWDRYQA-WNXMRAAYSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds3

About (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine

(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine (PubChem CID 126536976) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine
PubChem CID126536976
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine
SMILESC=N/C=C\C(=C/C)N(C)C
InChIInChI=1S/C8H14N2/c1-5-8(10(3)4)6-7-9-2/h5-7H,2H2,1,3-4H3/b7-6-,8-5+
InChIKeyIVPIWHFOWDRYQA-WNXMRAAYSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
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 (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine (CID 126536976) is (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine is C=N/C=C\C(=C/C)N(C)C.
What is the InChIKey of (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine?
The InChIKey is IVPIWHFOWDRYQA-WNXMRAAYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-8(10(3)4)6-7-9-2/h5-7H,2H2,1,3-4H3/b7-6-,8-5+.
What are the key properties of (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine?
(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine is sourced from PubChem (CID 126536976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).