1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine

C18H28N2 — CID 142947992

IUPAC1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine
SMILESC=C1C=C(CCC)N(CC2CCCCC2)/C1=N/C=C\C
InChIInChI=1S/C18H28N2/c1-4-9-17-13-15(3)18(19-12-5-2)20(17)14-16-10-7-6-8-11-16/h5,12-13,16H,3-4,6-11,14H2,1-2H3/b12-5-,19-18+
InChIKeyZVTOOXIHJLYNDZ-GPRLJDSFSA-N
MW272.44 g/mol
LogP5.05
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine

1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine (PubChem CID 142947992) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine
PubChem CID142947992
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine
SMILESC=C1C=C(CCC)N(CC2CCCCC2)/C1=N/C=C\C
InChIInChI=1S/C18H28N2/c1-4-9-17-13-15(3)18(19-12-5-2)20(17)14-16-10-7-6-8-11-16/h5,12-13,16H,3-4,6-11,14H2,1-2H3/b12-5-,19-18+
InChIKeyZVTOOXIHJLYNDZ-GPRLJDSFSA-N
XLogP5.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine
CID 90781512
N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
CID 91598723
4-methyl-1-(5-methylhexyl)-8H-pyrido[2,3-b]azepin-5-imine
CID 123307248
N-(2-ethylidene-5-methylhexa-3,5-dienyl)-7,10-dimethyl-8,9-dihydro-7H-pyrazino[1,2-a]azepin-6-imine
CID 123841838
(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
CID 126516250
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
CID 135142655
(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
CID 135142718
(1E)-1-[(5Z)-2-(2-cyclopropylethyl)-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]-N,N-dimethylmethanamine
CID 135143108
(2Z,4E)-2-ethenyl-N,5-dimethyl-N-(3-methylcyclohexyl)-3-(methylideneamino)nona-2,4-dienimidamide
CID 137514581
(3E)-3-[(E)-6-butyl-7-[[(E)-2,3-dimethylpent-1-enyl]amino]-8-methyldec-7-en-3-ylidene]-N-prop-1-en-2-ylpyrrol-2-amine
CID 138511090
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine?
The IUPAC name of 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine (CID 142947992) is 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine is C=C1C=C(CCC)N(CC2CCCCC2)/C1=N/C=C\C.
What is the InChIKey of 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine?
The InChIKey is ZVTOOXIHJLYNDZ-GPRLJDSFSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-9-17-13-15(3)18(19-12-5-2)20(17)14-16-10-7-6-8-11-16/h5,12-13,16H,3-4,6-11,14H2,1-2H3/b12-5-,19-18+.
What are the key properties of 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine?
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine has a molecular weight of 272.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine is sourced from PubChem (CID 142947992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).