2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine

C25H47N — CID 67749560

IUPAC2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine
SMILESC=CCN1C(C)=C(CCCCC)CC(CCCCC)C1(C)CCCCC
InChIInChI=1S/C25H47N/c1-7-11-14-17-23-21-24(18-15-12-8-2)25(6,19-16-13-9-3)26(20-10-4)22(23)5/h10,24H,4,7-9,11-21H2,1-3,5-6H3
InChIKeyJUYZZTPRLQGNCO-UHFFFAOYSA-N
MW361.66 g/mol
LogP8.27
Rot. Bonds14

About 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine

2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine (PubChem CID 67749560) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine
PubChem CID67749560
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC Name2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine
SMILESC=CCN1C(C)=C(CCCCC)CC(CCCCC)C1(C)CCCCC
InChIInChI=1S/C25H47N/c1-7-11-14-17-23-21-24(18-15-12-8-2)25(6,19-16-13-9-3)26(20-10-4)22(23)5/h10,24H,4,7-9,11-21H2,1-3,5-6H3
InChIKeyJUYZZTPRLQGNCO-UHFFFAOYSA-N
XLogP8.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 11117679
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CID 123490671
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
1-(2,7-Dimethyl-2,7-octa-dienyl)-2,5-diisopropenylpiperidine
CID 85907075
N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070130
N,N-bis(2-ethylhexyl)cyclohex-2-en-1-amine
CID 258792
1-(Prop-2-en-1-yl)-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3906191
N,N-diethyl-3-(4-methylcyclohex-3-en-1-yl)butan-1-amine
CID 21427791
dimethyl-octyl-[(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium iodide
CID 21502540
N,N-diethyl-1-(9-methyl-4,5,6,7,8,9-hexahydro-1H-benzo[7]annulen-5-yl)propan-1-amine
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17,18,18,20-Tetramethyl-17-azabicyclo[14.4.0]icos-1(16)-ene
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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine?
The IUPAC name of 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine (CID 67749560) is 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine.
What is the SMILES notation for 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine?
The canonical SMILES for 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine is C=CCN1C(C)=C(CCCCC)CC(CCCCC)C1(C)CCCCC.
What is the InChIKey of 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine?
The InChIKey is JUYZZTPRLQGNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N/c1-7-11-14-17-23-21-24(18-15-12-8-2)25(6,19-16-13-9-3)26(20-10-4)22(23)5/h10,24H,4,7-9,11-21H2,1-3,5-6H3.
What are the key properties of 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine?
2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine has a molecular weight of 361.66 g/mol, XLogP of 8.27, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3,5-tripentyl-1-prop-2-enyl-3,4-dihydropyridine is sourced from PubChem (CID 67749560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).