(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine

C9H16N2 — CID 131965537

IUPAC(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
SMILESC/N=C(C)/C=C/C=C(/C)NC
InChIInChI=1S/C9H16N2/c1-8(10-3)6-5-7-9(2)11-4/h5-7,10H,1-4H3/b7-5+,8-6-,11-9+
InChIKeyNFXNWFFIIJMTIS-QVKHCOBZSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds3

About (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine

(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine (PubChem CID 131965537) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
PubChem CID131965537
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine
SMILESC/N=C(C)/C=C/C=C(/C)NC
InChIInChI=1S/C9H16N2/c1-8(10-3)6-5-7-9(2)11-4/h5-7,10H,1-4H3/b7-5+,8-6-,11-9+
InChIKeyNFXNWFFIIJMTIS-QVKHCOBZSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
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 (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine?
The IUPAC name of (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine (CID 131965537) is (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine.
What is the SMILES notation for (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine?
The canonical SMILES for (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine is C/N=C(C)/C=C/C=C(/C)NC.
What is the InChIKey of (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine?
The InChIKey is NFXNWFFIIJMTIS-QVKHCOBZSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(10-3)6-5-7-9(2)11-4/h5-7,10H,1-4H3/b7-5+,8-6-,11-9+.
What are the key properties of (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine?
(2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-6-methyliminohepta-2,4-dien-2-amine is sourced from PubChem (CID 131965537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).