(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine

C13H18N2 — CID 143956481

IUPAC(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine
SMILESC/C=C/C(=C/N(C)C)/N=C1/C=CC=CC1
InChIInChI=1S/C13H18N2/c1-4-8-13(11-15(2)3)14-12-9-6-5-7-10-12/h4-9,11H,10H2,1-3H3/b8-4+,13-11-,14-12-
InChIKeyMJLFDBYMKSTIIR-OSKFZIFBSA-N
MW202.30 g/mol
LogP2.92
Rot. Bonds3

About (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine

(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine (PubChem CID 143956481) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine
PubChem CID143956481
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine
SMILESC/C=C/C(=C/N(C)C)/N=C1/C=CC=CC1
InChIInChI=1S/C13H18N2/c1-4-8-13(11-15(2)3)14-12-9-6-5-7-10-12/h4-9,11H,10H2,1-3H3/b8-4+,13-11-,14-12-
InChIKeyMJLFDBYMKSTIIR-OSKFZIFBSA-N
XLogP2.92
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.92
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)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine (CID 143956481) is (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine is C/C=C/C(=C/N(C)C)/N=C1/C=CC=CC1.
What is the InChIKey of (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine?
The InChIKey is MJLFDBYMKSTIIR-OSKFZIFBSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-8-13(11-15(2)3)14-12-9-6-5-7-10-12/h4-9,11H,10H2,1-3H3/b8-4+,13-11-,14-12-.
What are the key properties of (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine?
(1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N,N-dimethylpenta-1,3-dien-1-amine is sourced from PubChem (CID 143956481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).