N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine

C15H23N3 — CID 143720645

IUPACN-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine
SMILESC=CC/C(=C/C(C)=C1\CN(C)C(CCC)=N1)N=C
InChIInChI=1S/C15H23N3/c1-6-8-13(16-4)10-12(3)14-11-18(5)15(17-14)9-7-2/h6,10H,1,4,7-9,11H2,2-3,5H3/b13-10-,14-12+
InChIKeyVARLFPGCGDSXIU-HOUCWWNKSA-N
MW245.37 g/mol
LogP3.57
Rot. Bonds6

About N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine

N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine (PubChem CID 143720645) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine.

Molecular Properties

Compound NameN-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine
PubChem CID143720645
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine
SMILESC=CC/C(=C/C(C)=C1\CN(C)C(CCC)=N1)N=C
InChIInChI=1S/C15H23N3/c1-6-8-13(16-4)10-12(3)14-11-18(5)15(17-14)9-7-2/h6,10H,1,4,7-9,11H2,2-3,5H3/b13-10-,14-12+
InChIKeyVARLFPGCGDSXIU-HOUCWWNKSA-N
XLogP3.57
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
CID 146359507
N,N-diethyl-4-methyl-3H-azepin-2-amine
CID 12218528
N,N-diethyl-3,5,7-trimethyl-3H-azepin-2-amine
CID 12218545
2-N,2-N-diethyl-5-N,5-N-dimethyl-3H-azepine-2,5-diamine
CID 134989134
2,2,5,6,8-pentamethyl-3H-imidazo[1,2-a]pyridine
CID 20677189
2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
CID 89382550
1-(2-Ethylidenenona-3,5-dienyl)-2,4-dimethyl-4,5-dihydroimidazole
CID 90924335
8-Ethyl-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 118189848
2,3-dimethyl-8H-imidazo[4,5-i]quinoline
CID 123324154
4-[2,3-Dimethyl-5-(4-methylidenecyclohexa-2,5-dien-1-ylidene)imidazol-4-ylidene]-1-methylpyridine
CID 129066267
N-methyl-1-(5-methyl-2-methylidene-1-pyridinyl)propan-1-imine
CID 130374044
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
CID 134239526

Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine?
The IUPAC name of N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine (CID 143720645) is N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine.
What is the SMILES notation for N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine?
The canonical SMILES for N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine is C=CC/C(=C/C(C)=C1\CN(C)C(CCC)=N1)N=C.
What is the InChIKey of N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine?
The InChIKey is VARLFPGCGDSXIU-HOUCWWNKSA-N. The full InChI is InChI=1S/C15H23N3/c1-6-8-13(16-4)10-12(3)14-11-18(5)15(17-14)9-7-2/h6,10H,1,4,7-9,11H2,2-3,5H3/b13-10-,14-12+.
What are the key properties of N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine?
N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine has a molecular weight of 245.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6E)-6-(3-methyl-2-propyl-4H-imidazol-5-ylidene)hepta-1,4-dien-4-yl]methanimine is sourced from PubChem (CID 143720645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).