1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one

C16H30N2O — CID 62837080

IUPAC1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-3-17-13(2)12-16(19)18-11-7-10-15(18)14-8-5-4-6-9-14/h13-15,17H,3-12H2,1-2H3
InChIKeyRGVFICQSPQTURO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.95
Rot. Bonds5

About 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one

1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one (PubChem CID 62837080) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
PubChem CID62837080
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H30N2O/c1-3-17-13(2)12-16(19)18-11-7-10-15(18)14-8-5-4-6-9-14/h13-15,17H,3-12H2,1-2H3
InChIKeyRGVFICQSPQTURO-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(2-cyclopentylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one
CID 62831470
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-aminobutan-1-one
CID 60837184
(2S)-1-[3-(ethylamino)butanoyl]piperidine-2-carboxylic acid
CID 66263250
1-(2-cyclohexylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60946958
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-3-methylbutan-1-one
CID 81080546
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-oxopropyl]-3-butan-2-ylurea
CID 66794806
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
(2S)-2-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]amino]pentanoic acid
CID 124670441
3-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 66138921
4-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120589943

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one?
The IUPAC name of 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one (CID 62837080) is 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one?
The canonical SMILES for 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one is CCNC(C)CC(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one?
The InChIKey is RGVFICQSPQTURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-17-13(2)12-16(19)18-11-7-10-15(18)14-8-5-4-6-9-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one?
1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrrolidin-1-yl)-3-(ethylamino)butan-1-one is sourced from PubChem (CID 62837080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).