(7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine

C11H14N2 — CID 123305691

IUPAC(7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine
SMILES[H]/N=C/C1=NCCC2=CC=C(C)C21C
InChIInChI=1S/C11H14N2/c1-8-3-4-9-5-6-13-10(7-12)11(8,9)2/h3-4,7,12H,5-6H2,1-2H3/b12-7+
InChIKeyXDBWJRKUBVZCLR-KPKJPENVSA-N
MW174.25 g/mol
LogP2.37
Rot. Bonds1

About (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine

(7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine (PubChem CID 123305691) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine.

Molecular Properties

Compound Name(7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine
PubChem CID123305691
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine
SMILES[H]/N=C/C1=NCCC2=CC=C(C)C21C
InChIInChI=1S/C11H14N2/c1-8-3-4-9-5-6-13-10(7-12)11(8,9)2/h3-4,7,12H,5-6H2,1-2H3/b12-7+
InChIKeyXDBWJRKUBVZCLR-KPKJPENVSA-N
XLogP2.37
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine?
The IUPAC name of (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine (CID 123305691) is (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine.
What is the SMILES notation for (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine?
The canonical SMILES for (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine is [H]/N=C/C1=NCCC2=CC=C(C)C21C.
What is the InChIKey of (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine?
The InChIKey is XDBWJRKUBVZCLR-KPKJPENVSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-3-4-9-5-6-13-10(7-12)11(8,9)2/h3-4,7,12H,5-6H2,1-2H3/b12-7+.
What are the key properties of (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine?
(7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine has a molecular weight of 174.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7a-dimethyl-3,4-dihydrocyclopenta[c]pyridin-1-yl)methanimine is sourced from PubChem (CID 123305691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).