5-propyl-3,4-dihydropyridine

C8H13N — CID 57125642

IUPAC5-propyl-3,4-dihydropyridine
SMILESCCCC1=CN=CCC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h6-7H,2-5H2,1H3
InChIKeyCKGNFGZRHWCHCN-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds2

About 5-propyl-3,4-dihydropyridine

5-propyl-3,4-dihydropyridine (PubChem CID 57125642) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-propyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-propyl-3,4-dihydropyridine
PubChem CID57125642
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-propyl-3,4-dihydropyridine
SMILESCCCC1=CN=CCC1
InChIInChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h6-7H,2-5H2,1H3
InChIKeyCKGNFGZRHWCHCN-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-3,4-dihydropyridine
CID 14979265
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
5-Ethyl-2-fluoro-3,4-dihydropyridine
CID 155485405
3-Fluoro-5-propan-2-yl-3,4-dihydropyridine
CID 166850650
5-Ethyl-4-fluoro-3-methyl-3,4-dihydropyridine
CID 167009176
N-(cyclohexylidenemethyl)propan-1-imine
CID 12942395
5-Methyl-3,4-dihydropyridine
CID 14979264
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
5-Tert-butyl-3,4-dihydropyridine
CID 14979267
4,5-Dimethyl-3,4-dihydropyridine
CID 14979272
N-heptylidene-(2-methylpropenylamine)
CID 20436098

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,4-dihydropyridine?
The IUPAC name of 5-propyl-3,4-dihydropyridine (CID 57125642) is 5-propyl-3,4-dihydropyridine.
What is the SMILES notation for 5-propyl-3,4-dihydropyridine?
The canonical SMILES for 5-propyl-3,4-dihydropyridine is CCCC1=CN=CCC1.
What is the InChIKey of 5-propyl-3,4-dihydropyridine?
The InChIKey is CKGNFGZRHWCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-5-3-6-9-7-8/h6-7H,2-5H2,1H3.
What are the key properties of 5-propyl-3,4-dihydropyridine?
5-propyl-3,4-dihydropyridine has a molecular weight of 123.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,4-dihydropyridine is sourced from PubChem (CID 57125642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).