5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine

C11H17N — CID 144628544

IUPAC5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine
SMILESCC1=C(CCC2CC2)C=NCC1
InChIInChI=1S/C11H17N/c1-9-6-7-12-8-11(9)5-4-10-2-3-10/h8,10H,2-7H2,1H3
InChIKeyTYJAWOJDUJDMIF-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds3

About 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine

5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine (PubChem CID 144628544) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine
PubChem CID144628544
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine
SMILESCC1=C(CCC2CC2)C=NCC1
InChIInChI=1S/C11H17N/c1-9-6-7-12-8-11(9)5-4-10-2-3-10/h8,10H,2-7H2,1H3
InChIKeyTYJAWOJDUJDMIF-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-3-(cyclopropylmethyl)-2H-pyrrole
CID 58477507
1-(5-ethyl-2-methylcyclohexen-1-yl)-N-propylmethanimine
CID 89623742
5-Cyclopropyl-2-propyl-2,3-dihydropyridine
CID 123324115
5-Methyl-3,4-di(propan-2-yl)-2,3-dihydropyridine
CID 123369350
3-Ethyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
CID 123632856
5-Methyl-3-pentyl-2,3-dihydropyridine
CID 137435160
1-(2,5-dimethylcyclohexen-1-yl)-N-methylmethanimine
CID 166650373
1-(2,4-dimethylcyclohexen-1-yl)-N-ethylmethanimine
CID 166650501
2-Cyclopropyl-3-ethyl-5-methyl-2,3-dihydropyridine
CID 166735850
(E)-N,3-dimethyl-2-propan-2-yloct-2-en-1-imine
CID 170175491
3-Ethyl-11-methyl-4-(2-methylcyclopropyl)-1-azacyclododeca-1,3-diene
CID 174007506
4,5-Di(propan-2-yl)-2,3-dihydropyridine
CID 174194900

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine?
The IUPAC name of 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine (CID 144628544) is 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine is CC1=C(CCC2CC2)C=NCC1.
What is the InChIKey of 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine?
The InChIKey is TYJAWOJDUJDMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-9-6-7-12-8-11(9)5-4-10-2-3-10/h8,10H,2-7H2,1H3.
What are the key properties of 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine?
5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylethyl)-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 144628544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).