9,9-dipropyl-5,8-dihydro-4H-azecine

C15H25N — CID 70546472

IUPAC9,9-dipropyl-5,8-dihydro-4H-azecine
SMILESCCCC1(CCC)/C=N/C=CCCC=CC1
InChIInChI=1S/C15H25N/c1-3-10-15(11-4-2)12-8-6-5-7-9-13-16-14-15/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3/b8-6?,13-9?,16-14+
InChIKeyWNZNHRMRXOXZHG-QABVFLJBSA-N
MW219.37 g/mol
LogP4.90
Rot. Bonds4

About 9,9-dipropyl-5,8-dihydro-4H-azecine

9,9-dipropyl-5,8-dihydro-4H-azecine (PubChem CID 70546472) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 9,9-dipropyl-5,8-dihydro-4H-azecine.

Molecular Properties

Compound Name9,9-dipropyl-5,8-dihydro-4H-azecine
PubChem CID70546472
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name9,9-dipropyl-5,8-dihydro-4H-azecine
SMILESCCCC1(CCC)/C=N/C=CCCC=CC1
InChIInChI=1S/C15H25N/c1-3-10-15(11-4-2)12-8-6-5-7-9-13-16-14-15/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3/b8-6?,13-9?,16-14+
InChIKeyWNZNHRMRXOXZHG-QABVFLJBSA-N
XLogP4.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dipropyl-1-azacyclododeca-1,5,9-triene
CID 70540920
3-ethenyl-3,5-diethyl-4H-pyridine
CID 70631579
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
3-Butyl-3-ethylpyrrole
CID 90014834
3-Methyl-3-propan-2-yl-4-propylazepine
CID 91291807
3-Heptan-4-yl-3-methylazepine
CID 91391155
4-Ethyl-4-methyl-6-(2-methylpentan-2-yl)azepine
CID 123208721
4,4-Dimethyl-6-(2-methylpentan-2-yl)azepine
CID 123277906
3-Hexan-3-yl-3-methylazepine
CID 123398492
4-Butyl-4-methylazepine
CID 123402055
(2Z)-3-butyl-N-ethenyl-3-methyl-2-prop-2-enylideneheptan-1-imine
CID 129033725
N-[(1Z,7Z,9R)-3,6,6,9-tetramethylundeca-1,7-dienyl]ethanimine
CID 129310260

Frequently Asked Questions

What is the IUPAC name of 9,9-dipropyl-5,8-dihydro-4H-azecine?
The IUPAC name of 9,9-dipropyl-5,8-dihydro-4H-azecine (CID 70546472) is 9,9-dipropyl-5,8-dihydro-4H-azecine.
What is the SMILES notation for 9,9-dipropyl-5,8-dihydro-4H-azecine?
The canonical SMILES for 9,9-dipropyl-5,8-dihydro-4H-azecine is CCCC1(CCC)/C=N/C=CCCC=CC1.
What is the InChIKey of 9,9-dipropyl-5,8-dihydro-4H-azecine?
The InChIKey is WNZNHRMRXOXZHG-QABVFLJBSA-N. The full InChI is InChI=1S/C15H25N/c1-3-10-15(11-4-2)12-8-6-5-7-9-13-16-14-15/h6,8-9,13-14H,3-5,7,10-12H2,1-2H3/b8-6?,13-9?,16-14+.
What are the key properties of 9,9-dipropyl-5,8-dihydro-4H-azecine?
9,9-dipropyl-5,8-dihydro-4H-azecine has a molecular weight of 219.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dipropyl-5,8-dihydro-4H-azecine is sourced from PubChem (CID 70546472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).