2-(azocan-2-yl)-4-propylcyclohexan-1-one

C16H29NO — CID 114239631

IUPAC2-(azocan-2-yl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(C2CCCCCCN2)C1
InChIInChI=1S/C16H29NO/c1-2-7-13-9-10-16(18)14(12-13)15-8-5-3-4-6-11-17-15/h13-15,17H,2-12H2,1H3
InChIKeyKUCFLEXOSFTLBJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.69
Rot. Bonds3

About 2-(azocan-2-yl)-4-propylcyclohexan-1-one

2-(azocan-2-yl)-4-propylcyclohexan-1-one (PubChem CID 114239631) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(azocan-2-yl)-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-(azocan-2-yl)-4-propylcyclohexan-1-one
PubChem CID114239631
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(azocan-2-yl)-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(C2CCCCCCN2)C1
InChIInChI=1S/C16H29NO/c1-2-7-13-9-10-16(18)14(12-13)15-8-5-3-4-6-11-17-15/h13-15,17H,2-12H2,1H3
InChIKeyKUCFLEXOSFTLBJ-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-2-yl)-4-propylcyclohexan-1-one
CID 79539667
4-methyl-2-piperidin-2-ylcyclohexan-1-one
CID 79539174
2-(azepan-2-yl)-4-propan-2-ylcyclohexan-1-one
CID 79536826
9-(azocan-2-yl)spiro[4.5]decan-8-one
CID 114239639
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991
(4aR,8aS)-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-one
CID 70494313
2-(azepan-2-yl)cycloheptane-1,3-dione
CID 107430820
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62614047
7-propyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 60916186
2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 126837540

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-2-yl)-4-propylcyclohexan-1-one?
The IUPAC name of 2-(azocan-2-yl)-4-propylcyclohexan-1-one (CID 114239631) is 2-(azocan-2-yl)-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-(azocan-2-yl)-4-propylcyclohexan-1-one?
The canonical SMILES for 2-(azocan-2-yl)-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(C2CCCCCCN2)C1.
What is the InChIKey of 2-(azocan-2-yl)-4-propylcyclohexan-1-one?
The InChIKey is KUCFLEXOSFTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-7-13-9-10-16(18)14(12-13)15-8-5-3-4-6-11-17-15/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-(azocan-2-yl)-4-propylcyclohexan-1-one?
2-(azocan-2-yl)-4-propylcyclohexan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-2-yl)-4-propylcyclohexan-1-one is sourced from PubChem (CID 114239631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).