(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine

C18H29N3 — CID 167047806

IUPAC(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(/C=C1\NC2CCC(C)(C)C2CC1=C)N1CCCC1C
InChIInChI=1S/C18H29N3/c1-12-10-14-15(7-8-18(14,3)4)20-16(12)11-17(19)21-9-5-6-13(21)2/h11,13-15,19-20H,1,5-10H2,2-4H3/b16-11-,19-17-
InChIKeyZWCVIVPVBLLIRV-WNMDQABESA-N
MW287.45 g/mol
LogP3.69
Rot. Bonds1

About (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine

(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine (PubChem CID 167047806) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine.

Molecular Properties

Compound Name(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine
PubChem CID167047806
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine
SMILES[H]/N=C(/C=C1\NC2CCC(C)(C)C2CC1=C)N1CCCC1C
InChIInChI=1S/C18H29N3/c1-12-10-14-15(7-8-18(14,3)4)20-16(12)11-17(19)21-9-5-6-13(21)2/h11,13-15,19-20H,1,5-10H2,2-4H3/b16-11-,19-17-
InChIKeyZWCVIVPVBLLIRV-WNMDQABESA-N
XLogP3.69
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine?
The IUPAC name of (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine (CID 167047806) is (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine.
What is the SMILES notation for (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine?
The canonical SMILES for (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine is [H]/N=C(/C=C1\NC2CCC(C)(C)C2CC1=C)N1CCCC1C.
What is the InChIKey of (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine?
The InChIKey is ZWCVIVPVBLLIRV-WNMDQABESA-N. The full InChI is InChI=1S/C18H29N3/c1-12-10-14-15(7-8-18(14,3)4)20-16(12)11-17(19)21-9-5-6-13(21)2/h11,13-15,19-20H,1,5-10H2,2-4H3/b16-11-,19-17-.
What are the key properties of (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine?
(2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine has a molecular weight of 287.45 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5,5-dimethyl-3-methylidene-1,4,4a,6,7,7a-hexahydrocyclopenta[b]pyridin-2-ylidene)-1-(2-methylpyrrolidin-1-yl)ethanimine is sourced from PubChem (CID 167047806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).