(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine

C18H29N3 — CID 142354952

IUPAC(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C(C2CCN(C)CC2)=CN\1C1CCCCC1
InChIInChI=1S/C18H29N3/c1-3-16-17(14-9-11-20(2)12-10-14)13-21(18(16)19)15-7-5-4-6-8-15/h3,13-15,19H,4-12H2,1-2H3/b16-3-,19-18+
InChIKeyHEAROWHEQGKLSV-HKDUANEGSA-N
MW287.45 g/mol
LogP3.78
Rot. Bonds2

About (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine

(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine (PubChem CID 142354952) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine
PubChem CID142354952
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C(C2CCN(C)CC2)=CN\1C1CCCCC1
InChIInChI=1S/C18H29N3/c1-3-16-17(14-9-11-20(2)12-10-14)13-21(18(16)19)15-7-5-4-6-8-15/h3,13-15,19H,4-12H2,1-2H3/b16-3-,19-18+
InChIKeyHEAROWHEQGKLSV-HKDUANEGSA-N
XLogP3.78
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-cyclohex-3-en-1-yl-1-[(3Z,5E)-6,7-dimethyl-10,10a-dihydro-2H-1-benzazocin-1-yl]ethanimine
CID 89531087
4-Methyl-5-piperidin-4-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123256021
1-ethyl-3,4,4a,8a-tetrahydro-2H-quinoline-6-carboximidamide
CID 137439433
(3Z)-1-cyclohexyl-3-ethylidene-4-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrrol-2-imine
CID 142354922
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-piperidin-4-ylpiperidin-4-yl)pyrrol-2-imine
CID 142354927
butan-1-amine;(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine;ethane;3-ethylpent-1-ene
CID 142354951
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-propan-2-ylpiperidin-4-yl)pyrrol-2-imine;ethane
CID 142354954
(E)-2-ethyl-5-imino-5-(2-methylpiperidin-1-yl)-3-prop-1-en-2-ylpent-3-en-1-amine
CID 167047791
1-(Cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
CID 168894222
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-propan-2-ylpiperidin-4-yl)pyrrol-2-imine
CID 142354955
1-[3-Methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine
CID 142583906

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine (CID 142354952) is (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine is [H]/N=C1C(=C/C)\C(C2CCN(C)CC2)=CN\1C1CCCCC1.
What is the InChIKey of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine?
The InChIKey is HEAROWHEQGKLSV-HKDUANEGSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-16-17(14-9-11-20(2)12-10-14)13-21(18(16)19)15-7-5-4-6-8-15/h3,13-15,19H,4-12H2,1-2H3/b16-3-,19-18+.
What are the key properties of (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine?
(3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine has a molecular weight of 287.45 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclohexyl-3-ethylidene-4-(1-methylpiperidin-4-yl)pyrrol-2-imine is sourced from PubChem (CID 142354952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).