2-butyl-4-methyl-1,2-dihydropyridine

C10H17N — CID 45091747

IUPAC2-butyl-4-methyl-1,2-dihydropyridine
SMILESCCCCC1C=C(C)C=CN1
InChIInChI=1S/C10H17N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8,10-11H,3-5H2,1-2H3
InChIKeyXGNJXUSQGJZIOD-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.61
Rot. Bonds3

About 2-butyl-4-methyl-1,2-dihydropyridine

2-butyl-4-methyl-1,2-dihydropyridine (PubChem CID 45091747) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-butyl-4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name2-butyl-4-methyl-1,2-dihydropyridine
PubChem CID45091747
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-butyl-4-methyl-1,2-dihydropyridine
SMILESCCCCC1C=C(C)C=CN1
InChIInChI=1S/C10H17N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8,10-11H,3-5H2,1-2H3
InChIKeyXGNJXUSQGJZIOD-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride
CID 28869
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
Dihydronicotin
CID 407255
Tetrahydro 2h phenanthridin
CID 21749136
6,7,8,9-Tetrahydro-1-benzazepine
CID 67639352

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-1,2-dihydropyridine?
The IUPAC name of 2-butyl-4-methyl-1,2-dihydropyridine (CID 45091747) is 2-butyl-4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 2-butyl-4-methyl-1,2-dihydropyridine?
The canonical SMILES for 2-butyl-4-methyl-1,2-dihydropyridine is CCCCC1C=C(C)C=CN1.
What is the InChIKey of 2-butyl-4-methyl-1,2-dihydropyridine?
The InChIKey is XGNJXUSQGJZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-10-8-9(2)6-7-11-10/h6-8,10-11H,3-5H2,1-2H3.
What are the key properties of 2-butyl-4-methyl-1,2-dihydropyridine?
2-butyl-4-methyl-1,2-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-1,2-dihydropyridine is sourced from PubChem (CID 45091747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).