2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one

C14H26N2O — CID 43236389

IUPAC2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC1CCCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C14H26N2O/c1-12(14(17)16-10-6-7-11-16)15-13-8-4-2-3-5-9-13/h12-13,15H,2-11H2,1H3
InChIKeyXNLUCNOXSFSEIO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.31
Rot. Bonds3

About 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43236389) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43236389
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC1CCCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C14H26N2O/c1-12(14(17)16-10-6-7-11-16)15-13-8-4-2-3-5-9-13/h12-13,15H,2-11H2,1H3
InChIKeyXNLUCNOXSFSEIO-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
1-(azepan-1-yl)-2-[(3-ethylcyclohexyl)amino]propan-1-one
CID 64741045
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
(2R)-2-(cyclohexylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 91040267

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43236389) is 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NC1CCCCCC1)C(=O)N1CCCC1.
What is the InChIKey of 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XNLUCNOXSFSEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(14(17)16-10-6-7-11-16)15-13-8-4-2-3-5-9-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43236389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).