(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine

C12H20N2 — CID 139438549

IUPAC(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine
SMILESC=C(/C=C(C)\C=N\C)C(=C)NCCC
InChIInChI=1S/C12H20N2/c1-6-7-14-12(4)11(3)8-10(2)9-13-5/h8-9,14H,3-4,6-7H2,1-2,5H3/b10-8-,13-9+
InChIKeyJLBCQBGGFIEKBZ-KKCPJAHZSA-N
MW192.31 g/mol
LogP2.70
Rot. Bonds6

About (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine

(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine (PubChem CID 139438549) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine
PubChem CID139438549
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine
SMILESC=C(/C=C(C)\C=N\C)C(=C)NCCC
InChIInChI=1S/C12H20N2/c1-6-7-14-12(4)11(3)8-10(2)9-13-5/h8-9,14H,3-4,6-7H2,1-2,5H3/b10-8-,13-9+
InChIKeyJLBCQBGGFIEKBZ-KKCPJAHZSA-N
XLogP2.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.70
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

4-Imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
CID 163673399
(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
(3E)-N-ethyl-5,5-difluoro-3-methanimidoyl-4-methylhexa-1,3-dien-2-amine
CID 134466394
(3E,5Z)-N,N-diethyl-5-[6-[(2R)-2-fluoro-2H-pyridin-5-ylidene]-1,2-dihydropyridin-3-ylidene]penta-1,3-dien-3-amine
CID 173518248
N'-[4-(fluoromethyl)-2,7-dihydroazocin-5-yl]-N,N'-dimethylpropane-1,3-diamine
CID 174194532
Dihydropyrrolo[3,2-c]azepine
CID 129861020
2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
CID 17848339
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]pyridine
CID 19826811
[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
CID 59970359
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
2-(cyclohexa-1,5-dien-1-ylmethylideneamino)-N-methylcyclohexa-1,5-dien-1-amine
CID 70856836
(Z,2E)-1-N-ethyl-2-(2-methylprop-2-enylidene)pent-3-ene-1,4-diamine
CID 89120825

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine?
The IUPAC name of (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine (CID 139438549) is (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine?
The canonical SMILES for (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine is C=C(/C=C(C)\C=N\C)C(=C)NCCC.
What is the InChIKey of (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine?
The InChIKey is JLBCQBGGFIEKBZ-KKCPJAHZSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-7-14-12(4)11(3)8-10(2)9-13-5/h8-9,14H,3-4,6-7H2,1-2,5H3/b10-8-,13-9+.
What are the key properties of (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine?
(4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-3-methylidene-6-methylimino-N-propylhexa-1,4-dien-2-amine is sourced from PubChem (CID 139438549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).