1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one

C19H29NO — CID 71882918

IUPAC1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
SMILESCC(CCc1ccccc1)CC(=O)N1CCCCCCC1
InChIInChI=1S/C19H29NO/c1-17(12-13-18-10-6-5-7-11-18)16-19(21)20-14-8-3-2-4-9-15-20/h5-7,10-11,17H,2-4,8-9,12-16H2,1H3
InChIKeyLTGCQQKPWWRVLH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.44
Rot. Bonds5

About 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one

1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one (PubChem CID 71882918) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
PubChem CID71882918
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one
SMILESCC(CCc1ccccc1)CC(=O)N1CCCCCCC1
InChIInChI=1S/C19H29NO/c1-17(12-13-18-10-6-5-7-11-18)16-19(21)20-14-8-3-2-4-9-15-20/h5-7,10-11,17H,2-4,8-9,12-16H2,1H3
InChIKeyLTGCQQKPWWRVLH-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
CID 94823413
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
3-methyl-5-phenylpentanamide
CID 66761020
N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 86866237
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)propanamide
CID 30741193
3-phenylpropyl (2R)-2-amino-5-oxo-5-piperidin-1-ylpentanoate
CID 91148922
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
3-(2-methylphenyl)-1-piperidin-1-ylbutan-1-one
CID 71930972
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one?
The IUPAC name of 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one (CID 71882918) is 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one.
What is the SMILES notation for 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one?
The canonical SMILES for 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one is CC(CCc1ccccc1)CC(=O)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one?
The InChIKey is LTGCQQKPWWRVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-17(12-13-18-10-6-5-7-11-18)16-19(21)20-14-8-3-2-4-9-15-20/h5-7,10-11,17H,2-4,8-9,12-16H2,1H3.
What are the key properties of 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one?
1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-3-methyl-5-phenylpentan-1-one is sourced from PubChem (CID 71882918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).