1-(azocan-1-yl)-2,2-diphenylhexan-1-one

C25H33NO — CID 166327388

IUPAC1-(azocan-1-yl)-2,2-diphenylhexan-1-one
SMILESCCCCC(C(=O)N1CCCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO/c1-2-3-19-25(22-15-9-7-10-16-22,23-17-11-8-12-18-23)24(27)26-20-13-5-4-6-14-21-26/h7-12,15-18H,2-6,13-14,19-21H2,1H3
InChIKeyBTQONQCGNRITON-UHFFFAOYSA-N
MW363.55 g/mol
LogP5.96
Rot. Bonds6

About 1-(azocan-1-yl)-2,2-diphenylhexan-1-one

1-(azocan-1-yl)-2,2-diphenylhexan-1-one (PubChem CID 166327388) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2,2-diphenylhexan-1-one.

Molecular Properties

Compound Name1-(azocan-1-yl)-2,2-diphenylhexan-1-one
PubChem CID166327388
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC Name1-(azocan-1-yl)-2,2-diphenylhexan-1-one
SMILESCCCCC(C(=O)N1CCCCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H33NO/c1-2-3-19-25(22-15-9-7-10-16-22,23-17-11-8-12-18-23)24(27)26-20-13-5-4-6-14-21-26/h7-12,15-18H,2-6,13-14,19-21H2,1H3
InChIKeyBTQONQCGNRITON-UHFFFAOYSA-N
XLogP5.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylpiperazin-1-yl)-2,2-diphenylpentan-1-one
CID 963610
2,2-diphenylhexanamide;hydrochloride
CID 142429226
4-[bis(prop-2-enyl)amino]-2,2-diphenyl-1-pyrrolidin-1-ylbutan-1-one
CID 110173878
2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
CID 6611667
1-(1,4-diazepan-1-yl)-2-ethyl-2-phenylbutan-1-one;hydrochloride
CID 119415836
2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one
CID 101385570
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
3-butyl-3-phenylheptan-2-one
CID 11776692
dipotassium;2-butyl-2-phenylpropanedioate
CID 139411291
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
dilithium;2-butyl-2-phenylpropanedioate
CID 139411834

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2,2-diphenylhexan-1-one?
The IUPAC name of 1-(azocan-1-yl)-2,2-diphenylhexan-1-one (CID 166327388) is 1-(azocan-1-yl)-2,2-diphenylhexan-1-one.
What is the SMILES notation for 1-(azocan-1-yl)-2,2-diphenylhexan-1-one?
The canonical SMILES for 1-(azocan-1-yl)-2,2-diphenylhexan-1-one is CCCCC(C(=O)N1CCCCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(azocan-1-yl)-2,2-diphenylhexan-1-one?
The InChIKey is BTQONQCGNRITON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-2-3-19-25(22-15-9-7-10-16-22,23-17-11-8-12-18-23)24(27)26-20-13-5-4-6-14-21-26/h7-12,15-18H,2-6,13-14,19-21H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2,2-diphenylhexan-1-one?
1-(azocan-1-yl)-2,2-diphenylhexan-1-one has a molecular weight of 363.55 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2,2-diphenylhexan-1-one is sourced from PubChem (CID 166327388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).