(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane

C15H26N2 — CID 142207523

IUPAC(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane
SMILESC/C=C1/C(C2CCCCC2)=CN/C1=N\C.CC
InChIInChI=1S/C13H20N2.C2H6/c1-3-11-12(9-15-13(11)14-2)10-7-5-4-6-8-10;1-2/h3,9-10H,4-8H2,1-2H3,(H,14,15);1-2H3/b11-3-;
InChIKeyLZVWVXGHFCUFGU-PHXMKGPASA-N
MW234.39 g/mol
LogP4.05
Rot. Bonds1

About (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane

(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane (PubChem CID 142207523) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane.

Molecular Properties

Compound Name(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane
PubChem CID142207523
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane
SMILESC/C=C1/C(C2CCCCC2)=CN/C1=N\C.CC
InChIInChI=1S/C13H20N2.C2H6/c1-3-11-12(9-15-13(11)14-2)10-7-5-4-6-8-10;1-2/h3,9-10H,4-8H2,1-2H3,(H,14,15);1-2H3/b11-3-;
InChIKeyLZVWVXGHFCUFGU-PHXMKGPASA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
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

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CID 71125483
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N'-(3-methylbut-3-enyl)-N-[(1E)-3-methylocta-1,6-dienyl]-3-pent-2-en-2-ylcyclohexa-1,5-diene-1-carboximidamide
CID 123705184
(3E)-N-ethenyl-3-(4-methyldec-1-en-3-ylidene)pyrrol-2-amine
CID 129179105
(Z)-2-(1-cyclohexylethenyl)-N'-methylhex-2-enimidamide
CID 142207738
ethane;(3Z)-3-ethylidene-4-heptan-4-yl-N-methyl-1H-pyrrol-2-imine
CID 142207780
(Z)-N'-[2-[3-(4-cyclohexa-1,5-dien-1-ylbutan-2-yl)cyclobutyl]ethyl]-N,2-bis(ethenyl)but-2-enimidamide;ethane
CID 143007931
ethane;ethene;2-[1-[(3E)-penta-1,3-dien-3-yl]cyclopentyl]-1,4-dihydropyrimidine
CID 143824335
4-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
CID 144007402
5-(5,6-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine
CID 144007426
3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;methanamine
CID 144007461
3-cyclohexyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 148793037

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane?
The IUPAC name of (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane (CID 142207523) is (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane.
What is the SMILES notation for (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane?
The canonical SMILES for (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane is C/C=C1/C(C2CCCCC2)=CN/C1=N\C.CC.
What is the InChIKey of (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane?
The InChIKey is LZVWVXGHFCUFGU-PHXMKGPASA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-3-11-12(9-15-13(11)14-2)10-7-5-4-6-8-10;1-2/h3,9-10H,4-8H2,1-2H3,(H,14,15);1-2H3/b11-3-;.
What are the key properties of (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane?
(3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane has a molecular weight of 234.39 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-cyclohexyl-3-ethylidene-N-methyl-1H-pyrrol-2-imine;ethane is sourced from PubChem (CID 142207523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).