(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine

C14H23N3 — CID 143756108

IUPAC(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine
SMILES[H]/N=C/C(=C\CNC)/C(=C/N=C(\C)C(=C)C)CC
InChIInChI=1S/C14H23N3/c1-6-13(10-17-12(4)11(2)3)14(9-15)7-8-16-5/h7,9-10,15-16H,2,6,8H2,1,3-5H3/b13-10+,14-7+,15-9+,17-12+
InChIKeyFAXPALXMSIFGGC-COHIGINESA-N
MW233.36 g/mol
LogP3.11
Rot. Bonds7

About (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine

(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine (PubChem CID 143756108) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine.

Molecular Properties

Compound Name(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine
PubChem CID143756108
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine
SMILES[H]/N=C/C(=C\CNC)/C(=C/N=C(\C)C(=C)C)CC
InChIInChI=1S/C14H23N3/c1-6-13(10-17-12(4)11(2)3)14(9-15)7-8-16-5/h7,9-10,15-16H,2,6,8H2,1,3-5H3/b13-10+,14-7+,15-9+,17-12+
InChIKeyFAXPALXMSIFGGC-COHIGINESA-N
XLogP3.11
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[6-(Ethylamino)-4-propylhepta-3,5-dien-2-ylidene]-methylazanium
CID 59120193
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
(10E)-2,10-dimethyl-3,6,9,12-tetrazabicyclo[9.3.1]pentadeca-1(15),2,10,12-tetraene
CID 70236898
(3Z,5E)-N,4,6-trimethyl-9-methyliminonona-3,5-dien-5-amine
CID 89390271
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
1-(4-ethyl-3H-azepin-6-yl)-N-methylethanamine
CID 123236699
Dimethyl-[5-methyl-4-(methylamino)hepta-2,4-dienylidene]azanium
CID 123297385
(Z)-5-[(Z)-2-(ethylideneamino)ethenyl]oct-5-en-4-imine
CID 123977223
(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine
CID 129084958
(4E)-4-(2-ethenyliminopropylidene)-N-methylcyclohexa-1,5-dien-1-amine
CID 129169872
(3Z)-5,6-bis(ethenyl)-N-methyl-4-(methyliminomethyl)octa-1,3,5,7-tetraen-3-amine
CID 132046352

Frequently Asked Questions

What is the IUPAC name of (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine?
The IUPAC name of (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine (CID 143756108) is (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine.
What is the SMILES notation for (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine?
The canonical SMILES for (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine is [H]/N=C/C(=C\CNC)/C(=C/N=C(\C)C(=C)C)CC.
What is the InChIKey of (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine?
The InChIKey is FAXPALXMSIFGGC-COHIGINESA-N. The full InChI is InChI=1S/C14H23N3/c1-6-13(10-17-12(4)11(2)3)14(9-15)7-8-16-5/h7,9-10,15-16H,2,6,8H2,1,3-5H3/b13-10+,14-7+,15-9+,17-12+.
What are the key properties of (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine?
(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine is sourced from PubChem (CID 143756108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).