3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine

C14H25N — CID 123463848

IUPAC3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine
SMILESCCC1C=NC(CCC(C)C)=C(C)C1C
InChIInChI=1S/C14H25N/c1-6-13-9-15-14(8-7-10(2)3)12(5)11(13)4/h9-11,13H,6-8H2,1-5H3
InChIKeyFAHZZBRTPKBXOU-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.44
Rot. Bonds4

About 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine

3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine (PubChem CID 123463848) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine
PubChem CID123463848
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine
SMILESCCC1C=NC(CCC(C)C)=C(C)C1C
InChIInChI=1S/C14H25N/c1-6-13-9-15-14(8-7-10(2)3)12(5)11(13)4/h9-11,13H,6-8H2,1-5H3
InChIKeyFAHZZBRTPKBXOU-UHFFFAOYSA-N
XLogP4.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
3-Ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyrrole
CID 23518376
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine
CID 60123254
5-ethyl-4,5,6,7-tetrahydro-3H-indole
CID 68040987
4-(2,4-dimethylpentan-3-ylidene)-3,5-dihydro-2H-pyridine
CID 68354026
3,5-dimethyl-4-propyl-3H-pyrrole
CID 69174213
5-methyl-4,5,6,7-tetrahydro-3H-indole
CID 70571864
2,3,4,5,6-Pentamethyl-3,4-dihydropyridine
CID 72655828
6,7-Dimethyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
CID 88563171
5-methyl-4,5,6,7-tetrahydro-3H-cyclopenta[b]pyridine
CID 89185960

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine?
The IUPAC name of 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine (CID 123463848) is 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine?
The canonical SMILES for 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine is CCC1C=NC(CCC(C)C)=C(C)C1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine?
The InChIKey is FAHZZBRTPKBXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-13-9-15-14(8-7-10(2)3)12(5)11(13)4/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine?
3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-6-(3-methylbutyl)-3,4-dihydropyridine is sourced from PubChem (CID 123463848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).