(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine

C8H14N2 — CID 123460988

IUPAC(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine
SMILES[H]/N=C(C)/C=C\C(=C)N(C)C
InChIInChI=1S/C8H14N2/c1-7(9)5-6-8(2)10(3)4/h5-6,9H,2H2,1,3-4H3/b6-5-,9-7+
InChIKeyOZFXFONJDGECFO-BZWSEGBZSA-N
MW138.21 g/mol
LogP1.66
Rot. Bonds3

About (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine

(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine (PubChem CID 123460988) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine
PubChem CID123460988
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine
SMILES[H]/N=C(C)/C=C\C(=C)N(C)C
InChIInChI=1S/C8H14N2/c1-7(9)5-6-8(2)10(3)4/h5-6,9H,2H2,1,3-4H3/b6-5-,9-7+
InChIKeyOZFXFONJDGECFO-BZWSEGBZSA-N
XLogP1.66
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
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)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine?
The IUPAC name of (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine (CID 123460988) is (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine?
The canonical SMILES for (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine is [H]/N=C(C)/C=C\C(=C)N(C)C.
What is the InChIKey of (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine?
The InChIKey is OZFXFONJDGECFO-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9)5-6-8(2)10(3)4/h5-6,9H,2H2,1,3-4H3/b6-5-,9-7+.
What are the key properties of (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine?
(3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-imino-N,N-dimethylhexa-1,3-dien-2-amine is sourced from PubChem (CID 123460988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).