6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine

C12H17N — CID 143153326

IUPAC6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
SMILESCC1CC=CC=C1C1=NCCCC1
InChIInChI=1S/C12H17N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-3,7,10H,4-6,8-9H2,1H3
InChIKeyHKISVLPAOURZSF-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.13
Rot. Bonds1

About 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine

6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 143153326) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
PubChem CID143153326
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine
SMILESCC1CC=CC=C1C1=NCCCC1
InChIInChI=1S/C12H17N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-3,7,10H,4-6,8-9H2,1H3
InChIKeyHKISVLPAOURZSF-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
4-[(2-fluoro-5-prop-2-enylcyclohexa-2,4-dien-1-yl)methyl]-3-methyl-2-[(Z)-2-methylpent-1-enyl]-2,3-dihydropyridine
CID 134299385
2-(4-chlorocyclohexa-2,4-dien-1-yl)-5-(2,6-difluorocyclohexa-1,3-dien-1-yl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 163990145
3-methyl-6-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]-2,3,4,5-tetrahydropyridine
CID 166963371
(3S)-6-(4,4-difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169114371
6-(4,4-Difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169750390
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300

Frequently Asked Questions

What is the IUPAC name of 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine (CID 143153326) is 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine is CC1CC=CC=C1C1=NCCCC1.
What is the InChIKey of 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is HKISVLPAOURZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-6-2-3-7-11(10)12-8-4-5-9-13-12/h2-3,7,10H,4-6,8-9H2,1H3.
What are the key properties of 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine?
6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 175.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylcyclohexa-1,3-dien-1-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 143153326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).