2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine

C23H37N — CID 91261335

IUPAC2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine
SMILESC=C(C)CCC(=C)CC1CCCC(CC2(C)CC=C(C)C=N2)CC1
InChIInChI=1S/C23H37N/c1-18(2)9-10-19(3)15-21-7-6-8-22(12-11-21)16-23(5)14-13-20(4)17-24-23/h13,17,21-22H,1,3,6-12,14-16H2,2,4-5H3
InChIKeyWJQIPWQFQQWYBN-UHFFFAOYSA-N
MW327.56 g/mol
LogP7.06
Rot. Bonds7

About 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine

2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine (PubChem CID 91261335) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine.

Molecular Properties

Compound Name2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine
PubChem CID91261335
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine
SMILESC=C(C)CCC(=C)CC1CCCC(CC2(C)CC=C(C)C=N2)CC1
InChIInChI=1S/C23H37N/c1-18(2)9-10-19(3)15-21-7-6-8-22(12-11-21)16-23(5)14-13-20(4)17-24-23/h13,17,21-22H,1,3,6-12,14-16H2,2,4-5H3
InChIKeyWJQIPWQFQQWYBN-UHFFFAOYSA-N
XLogP7.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
5-Ethyl-2-heptan-4-yl-2,3-dihydropyridine
CID 90902116
5-ethyl-N,2-dimethyltridec-2-en-1-imine
CID 91514795
2-[1-(1-Ethylcyclobutyl)butan-2-yl]-5-propan-2-yl-2,3-dihydropyridine
CID 91551985
2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine
CID 123231495
3-propan-2-yl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
CID 123579798
4-methyl-6-nonan-5-yl-3,4-dihydro-2H-azepine
CID 123656269
5-Methyl-3-pentyl-2,3-dihydropyridine
CID 137435160
ethane;(2E,6Z)-7-ethyl-2-(6-ethyloctan-4-yl)-4,5-dihydroazocine
CID 141876854
ethane;(2Z)-2-ethylidene-N-(6-ethyl-4-propylocta-1,2-dien-3-yl)pentan-1-imine
CID 141877157

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine?
The IUPAC name of 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine (CID 91261335) is 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine.
What is the SMILES notation for 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine?
The canonical SMILES for 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine is C=C(C)CCC(=C)CC1CCCC(CC2(C)CC=C(C)C=N2)CC1.
What is the InChIKey of 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine?
The InChIKey is WJQIPWQFQQWYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-18(2)9-10-19(3)15-21-7-6-8-22(12-11-21)16-23(5)14-13-20(4)17-24-23/h13,17,21-22H,1,3,6-12,14-16H2,2,4-5H3.
What are the key properties of 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine?
2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine has a molecular weight of 327.56 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[[4-(5-methyl-2-methylidenehex-5-enyl)cycloheptyl]methyl]-3H-pyridine is sourced from PubChem (CID 91261335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).