(3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine

C9H16N2 — CID 155394759

IUPAC(3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=N\C)C(C)NC
InChIInChI=1S/C9H16N2/c1-5-6-9(7-10-3)8(2)11-4/h5-8,11H,1H2,2-4H3/b9-6+,10-7+
InChIKeyJXCCUMKMBMRILE-KZZDLZNXSA-N
MW152.24 g/mol
LogP1.41
Rot. Bonds4

About (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine

(3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine (PubChem CID 155394759) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine
PubChem CID155394759
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine
SMILESC=C/C=C(\C=N\C)C(C)NC
InChIInChI=1S/C9H16N2/c1-5-6-9(7-10-3)8(2)11-4/h5-8,11H,1H2,2-4H3/b9-6+,10-7+
InChIKeyJXCCUMKMBMRILE-KZZDLZNXSA-N
XLogP1.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.41
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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Related Compounds

[(2E)-10-(dimethylamino)-3,7-dimethyldeca-2,4,6,8-tetraenylidene]-methylazanium
CID 53867949
Methyl-[2,5,8-trimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59962921
[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
CID 59970359
2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 70856836
2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
CID 88905588
(E,2R)-3-[(Z)-(dimethylhydrazinylidene)methyl]-N-methylpent-3-en-2-amine
CID 89276234
7,7-Dimethyl-1,2,3,4-tetrahydropyrido[4,3-c]azepine
CID 89334721
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
(Z,2E)-N-methyl-2-(2-methyliminoethylidene)pent-3-en-1-amine
CID 117904339
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
N,3-dimethyl-2-methylidene-5-methyliminopent-3-en-1-amine
CID 123218319

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine (CID 155394759) is (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine is C=C/C=C(\C=N\C)C(C)NC.
What is the InChIKey of (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine?
The InChIKey is JXCCUMKMBMRILE-KZZDLZNXSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-9(7-10-3)8(2)11-4/h5-8,11H,1H2,2-4H3/b9-6+,10-7+.
What are the key properties of (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine?
(3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-(methyliminomethyl)hexa-3,5-dien-2-amine is sourced from PubChem (CID 155394759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).