2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one

C17H31NO — CID 113418795

IUPAC2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCC(C(C)C)C2)C1
InChIInChI=1S/C17H31NO/c1-4-5-14-6-7-17(19)16(10-14)12-18-9-8-15(11-18)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyARWPRSQTJJRNBE-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds5

About 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one

2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one (PubChem CID 113418795) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
PubChem CID113418795
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CCC(C(C)C)C2)C1
InChIInChI=1S/C17H31NO/c1-4-5-14-6-7-17(19)16(10-14)12-18-9-8-15(11-18)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyARWPRSQTJJRNBE-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 113418812
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 106837717
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397
2-[(4-methylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612346
4-ethyl-2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 112628882
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62612514
2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 107228824
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 103538833
2-[(3-propoxypiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 62613886
2-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 81474487
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one (CID 113418795) is 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CCC(C(C)C)C2)C1.
What is the InChIKey of 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is ARWPRSQTJJRNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-5-14-6-7-17(19)16(10-14)12-18-9-8-15(11-18)13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one?
2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 113418795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).