3-(2-methylbutyl)-2,3-dihydropyridine

C10H17N — CID 123449775

IUPAC3-(2-methylbutyl)-2,3-dihydropyridine
SMILESCCC(C)CC1C=CC=NC1
InChIInChI=1S/C10H17N/c1-3-9(2)7-10-5-4-6-11-8-10/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyYSUCDASHUQHFER-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-methylbutyl)-2,3-dihydropyridine

3-(2-methylbutyl)-2,3-dihydropyridine (PubChem CID 123449775) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-(2-methylbutyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(2-methylbutyl)-2,3-dihydropyridine
PubChem CID123449775
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-(2-methylbutyl)-2,3-dihydropyridine
SMILESCCC(C)CC1C=CC=NC1
InChIInChI=1S/C10H17N/c1-3-9(2)7-10-5-4-6-11-8-10/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyYSUCDASHUQHFER-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
3,4,4a,5,8,8a-Hexahydroisoquinoline
CID 123941003
4-[(5E,7Z)-6-fluorodeca-5,7,9-trien-3-yl]-2,3-dihydropyridine
CID 89431580
(Z,5S)-N-ethyl-5-fluoro-6-methylhept-2-en-1-imine
CID 129037792
2-fluoro-2-methyl-4-propan-2-yl-3H-pyridine
CID 135127173
3-(Cyclopropylmethyl)-2-fluoro-2,3-dihydropyridine
CID 164087219
N-[(E)-Methyl](phenyl)-N-[(E)-2-propenylidene]methanaminium
CID 137349817
2,2',3,3',4',5'-Hexa-hydro-3,4'-bipyridine
CID 129759174
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutyl)-2,3-dihydropyridine?
The IUPAC name of 3-(2-methylbutyl)-2,3-dihydropyridine (CID 123449775) is 3-(2-methylbutyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-(2-methylbutyl)-2,3-dihydropyridine?
The canonical SMILES for 3-(2-methylbutyl)-2,3-dihydropyridine is CCC(C)CC1C=CC=NC1.
What is the InChIKey of 3-(2-methylbutyl)-2,3-dihydropyridine?
The InChIKey is YSUCDASHUQHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-9(2)7-10-5-4-6-11-8-10/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 3-(2-methylbutyl)-2,3-dihydropyridine?
3-(2-methylbutyl)-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutyl)-2,3-dihydropyridine is sourced from PubChem (CID 123449775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).