6-(3-methylbutyl)-3,4-dihydropyridine

C10H17N — CID 142079078

IUPAC6-(3-methylbutyl)-3,4-dihydropyridine
SMILESCC(C)CCC1=CCCC=N1
InChIInChI=1S/C10H17N/c1-9(2)6-7-10-5-3-4-8-11-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyCUIJLLWSPKYSKI-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds3

About 6-(3-methylbutyl)-3,4-dihydropyridine

6-(3-methylbutyl)-3,4-dihydropyridine (PubChem CID 142079078) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 6-(3-methylbutyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(3-methylbutyl)-3,4-dihydropyridine
PubChem CID142079078
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name6-(3-methylbutyl)-3,4-dihydropyridine
SMILESCC(C)CCC1=CCCC=N1
InChIInChI=1S/C10H17N/c1-9(2)6-7-10-5-3-4-8-11-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyCUIJLLWSPKYSKI-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexen-1-yl)ethanimine
CID 91406675
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
5-(2-methylpropyl)-3H-pyrrole
CID 22094961
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
4,6-Dimethyl-3,4-dihydropyridine
CID 53738464
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
6-Butyl-3,4-dihydropyridine
CID 57232756
3,5-diethyl-3H-pyrrole
CID 57710494
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-(3-methylbutyl)-3H-pyrrole
CID 58324839
5-(3,3-dimethylbutyl)-3H-pyrrole
CID 58543330
5-(cyclohex-2-en-1-ylmethyl)-3H-pyrrole
CID 59152616

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutyl)-3,4-dihydropyridine?
The IUPAC name of 6-(3-methylbutyl)-3,4-dihydropyridine (CID 142079078) is 6-(3-methylbutyl)-3,4-dihydropyridine.
What is the SMILES notation for 6-(3-methylbutyl)-3,4-dihydropyridine?
The canonical SMILES for 6-(3-methylbutyl)-3,4-dihydropyridine is CC(C)CCC1=CCCC=N1.
What is the InChIKey of 6-(3-methylbutyl)-3,4-dihydropyridine?
The InChIKey is CUIJLLWSPKYSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)6-7-10-5-3-4-8-11-10/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 6-(3-methylbutyl)-3,4-dihydropyridine?
6-(3-methylbutyl)-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutyl)-3,4-dihydropyridine is sourced from PubChem (CID 142079078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).