4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine

C12H19N — CID 123416849

IUPAC4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine
SMILESCCC1=CC(C)(CC2CC2)CC=N1
InChIInChI=1S/C12H19N/c1-3-11-9-12(2,6-7-13-11)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyOBTMONMVFPVLAT-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.56
Rot. Bonds3

About 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine

4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine (PubChem CID 123416849) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine
PubChem CID123416849
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine
SMILESCCC1=CC(C)(CC2CC2)CC=N1
InChIInChI=1S/C12H19N/c1-3-11-9-12(2,6-7-13-11)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyOBTMONMVFPVLAT-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
(2Z)-N-(4,4-dimethylpent-2-en-3-yl)-2-ethylidene-3-methylheptan-1-imine
CID 91147991
N-[1-(1,2-dimethylcyclopropyl)prop-1-en-2-yl]propan-1-imine
CID 91394560
(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
CID 91514458
4,7-Dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 91520463
6-Methyl-4-(3-methylidenepent-4-enyl)-3,4-dihydropyridine
CID 123172598
6-Tert-butyl-3-propan-2-yl-3,4-dihydropyridine
CID 129103745
3-(2-ethylbutyl)-3-methyl-6-(3-methylpentan-3-yl)-4H-pyridine
CID 134459014
N-[(Z)-1-(7-methyl-7-bicyclo[4.1.0]hepta-2,4-dienyl)prop-1-en-2-yl]ethanimine
CID 138509412
(7R)-4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 141769304
N-[(Z)-1-[(1S)-2-[(E)-4-cyclohexylbut-1-enyl]-2-methylcyclopropyl]prop-1-enyl]ethanimine;ethane
CID 141854694
5-[(1S)-2-[(Z)-5-ethyloct-1-enyl]cyclopropyl]-3-methyl-3H-pyrrole
CID 141854721

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine?
The IUPAC name of 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine (CID 123416849) is 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine.
What is the SMILES notation for 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine?
The canonical SMILES for 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine is CCC1=CC(C)(CC2CC2)CC=N1.
What is the InChIKey of 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine?
The InChIKey is OBTMONMVFPVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-11-9-12(2,6-7-13-11)8-10-4-5-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine?
4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine has a molecular weight of 177.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-6-ethyl-4-methyl-3H-pyridine is sourced from PubChem (CID 123416849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).