3-(cyclopropylmethyl)-4-methylpyridine;ethane

C14H25N — CID 166091587

IUPAC3-(cyclopropylmethyl)-4-methylpyridine;ethane
SMILESCC.CC.Cc1ccncc1CC1CC1
InChIInChI=1S/C10H13N.2C2H6/c1-8-4-5-11-7-10(8)6-9-2-3-9;2*1-2/h4-5,7,9H,2-3,6H2,1H3;2*1-2H3
InChIKeyJKLHGQLVYNWKMP-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.39
Rot. Bonds2

About 3-(cyclopropylmethyl)-4-methylpyridine;ethane

3-(cyclopropylmethyl)-4-methylpyridine;ethane (PubChem CID 166091587) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-methylpyridine;ethane.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-methylpyridine;ethane
PubChem CID166091587
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-(cyclopropylmethyl)-4-methylpyridine;ethane
SMILESCC.CC.Cc1ccncc1CC1CC1
InChIInChI=1S/C10H13N.2C2H6/c1-8-4-5-11-7-10(8)6-9-2-3-9;2*1-2/h4-5,7,9H,2-3,6H2,1H3;2*1-2H3
InChIKeyJKLHGQLVYNWKMP-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(cyclopropylmethyl)-4-methylpyridine
CID 166091588
3-[(4-ethylcyclohexyl)methyl]pyridin-4-amine
CID 64776930
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
4-methyl-3-(methylsulfanylmethyl)pyridine
CID 89105159
4-amino-N-[2-(4-methyl-3-pyridinyl)ethyl]cyclohexane-1-carboxamide
CID 138057699
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
4,5-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]imidazolidin-2-imine
CID 139016896
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 114544009
3-(cyclopentylmethyl)-1-methyl-2-(3-methyl-4-pyridinyl)pyridin-1-ium
CID 140881284
1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine
CID 175088165

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-methylpyridine;ethane?
The IUPAC name of 3-(cyclopropylmethyl)-4-methylpyridine;ethane (CID 166091587) is 3-(cyclopropylmethyl)-4-methylpyridine;ethane.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-methylpyridine;ethane?
The canonical SMILES for 3-(cyclopropylmethyl)-4-methylpyridine;ethane is CC.CC.Cc1ccncc1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-4-methylpyridine;ethane?
The InChIKey is JKLHGQLVYNWKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-8-4-5-11-7-10(8)6-9-2-3-9;2*1-2/h4-5,7,9H,2-3,6H2,1H3;2*1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-4-methylpyridine;ethane?
3-(cyclopropylmethyl)-4-methylpyridine;ethane has a molecular weight of 207.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-methylpyridine;ethane is sourced from PubChem (CID 166091587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).