4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine

C24H45N — CID 123350734

IUPAC4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine
SMILESC=C(CCCCCCCCC)C1=C(CCC)N(CCC)CCC1(C)C
InChIInChI=1S/C24H45N/c1-7-10-11-12-13-14-15-17-21(4)23-22(16-8-2)25(19-9-3)20-18-24(23,5)6/h4,7-20H2,1-3,5-6H3
InChIKeyOIXOFENIMNUCHT-UHFFFAOYSA-N
MW347.63 g/mol
LogP7.88
Rot. Bonds13

About 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine

4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine (PubChem CID 123350734) has the molecular formula C24H45N and a molecular weight of 347.63 g/mol. Its IUPAC name is 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine
PubChem CID123350734
Molecular FormulaC24H45N
Molecular Weight347.63 g/mol
Exact Mass347.36
IUPAC Name4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine
SMILESC=C(CCCCCCCCC)C1=C(CCC)N(CCC)CCC1(C)C
InChIInChI=1S/C24H45N/c1-7-10-11-12-13-14-15-17-21(4)23-22(16-8-2)25(19-9-3)20-18-24(23,5)6/h4,7-20H2,1-3,5-6H3
InChIKeyOIXOFENIMNUCHT-UHFFFAOYSA-N
XLogP7.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine?
The IUPAC name of 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine (CID 123350734) is 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine?
The canonical SMILES for 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine is C=C(CCCCCCCCC)C1=C(CCC)N(CCC)CCC1(C)C.
What is the InChIKey of 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine?
The InChIKey is OIXOFENIMNUCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N/c1-7-10-11-12-13-14-15-17-21(4)23-22(16-8-2)25(19-9-3)20-18-24(23,5)6/h4,7-20H2,1-3,5-6H3.
What are the key properties of 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine?
4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine has a molecular weight of 347.63 g/mol, XLogP of 7.88, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,6-dipropyl-5-undec-1-en-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 123350734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).