5-ethyl-2-heptan-4-yl-2,3-dihydropyridine

C14H25N — CID 90902116

IUPAC5-ethyl-2-heptan-4-yl-2,3-dihydropyridine
SMILESCCCC(CCC)C1CC=C(CC)C=N1
InChIInChI=1S/C14H25N/c1-4-7-13(8-5-2)14-10-9-12(6-3)11-15-14/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyLLPGQVDNXLALKT-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.38
Rot. Bonds6

About 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine

5-ethyl-2-heptan-4-yl-2,3-dihydropyridine (PubChem CID 90902116) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethyl-2-heptan-4-yl-2,3-dihydropyridine
PubChem CID90902116
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name5-ethyl-2-heptan-4-yl-2,3-dihydropyridine
SMILESCCCC(CCC)C1CC=C(CC)C=N1
InChIInChI=1S/C14H25N/c1-4-7-13(8-5-2)14-10-9-12(6-3)11-15-14/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyLLPGQVDNXLALKT-UHFFFAOYSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Diethyl-2,3-dihydropyridine
CID 53814937
(2R)-5-[(2R)-pentan-2-yl]-2-(trifluoromethyl)-2,3-dihydropyridine
CID 118476293
(3R,5aR)-7-fluoro-3,5-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-1-benzazepine
CID 137417370
(3S)-N-cyclohexyl-3,7-dimethyloct-6-en-1-imine
CID 13509326
(E)-N-cyclohexyl-2-ethylbut-2-en-1-imine
CID 127262357
(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
2-[Cyclopropyl(difluoro)methyl]-5-methyl-2,3-dihydropyridine
CID 162560059
But-2-enylidene-[1-methyl-1-(4-methyl-cyclohex-3-enyl)-ethyl]-amine
CID 5370279
2-Butyl-3,5-dipropyl-2,3-dihydropyridine
CID 85526511
2-Ethyl-3,5-dimethyl-2,3-dihydropyridine
CID 12478339
(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine?
The IUPAC name of 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine (CID 90902116) is 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine.
What is the SMILES notation for 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine?
The canonical SMILES for 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine is CCCC(CCC)C1CC=C(CC)C=N1.
What is the InChIKey of 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine?
The InChIKey is LLPGQVDNXLALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-7-13(8-5-2)14-10-9-12(6-3)11-15-14/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine?
5-ethyl-2-heptan-4-yl-2,3-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-heptan-4-yl-2,3-dihydropyridine is sourced from PubChem (CID 90902116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).