2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C16H30N2O — CID 81391730

IUPAC2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(N[C@@H](C)C1CCCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C16H30N2O/c1-13(15-9-5-3-4-6-10-15)17-14(2)16(19)18-11-7-8-12-18/h13-15,17H,3-12H2,1-2H3/t13-,14?/m0/s1
InChIKeySACRNCGKDVUWEN-LSLKUGRBSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds4

About 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 81391730) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID81391730
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(N[C@@H](C)C1CCCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C16H30N2O/c1-13(15-9-5-3-4-6-10-15)17-14(2)16(19)18-11-7-8-12-18/h13-15,17H,3-12H2,1-2H3/t13-,14?/m0/s1
InChIKeySACRNCGKDVUWEN-LSLKUGRBSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265
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CID 81392361
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
N-cyclohexyl-2-[[(1S)-1-cyclohexylethyl]amino]propanamide
CID 81384329
2-[[(1S)-1-cyclohexylethyl]amino]-N-methylpropanamide
CID 81384429
N-cyclohexyl-2-[[(1R)-1-cyclohexylethyl]amino]propanamide
CID 81384882
2-(1-cyclohexylethylamino)-N-cyclopropylpropanamide
CID 62405745

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 81391730) is 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(N[C@@H](C)C1CCCCCC1)C(=O)N1CCCC1.
What is the InChIKey of 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SACRNCGKDVUWEN-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(15-9-5-3-4-6-10-15)17-14(2)16(19)18-11-7-8-12-18/h13-15,17H,3-12H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 81391730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).