3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C16H28N2O — CID 64593683

IUPAC3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1CCCC(C2CC2)C1)N1CCCC1
InChIInChI=1S/C16H28N2O/c19-16(18-10-1-2-11-18)8-9-17-15-5-3-4-14(12-15)13-6-7-13/h13-15,17H,1-12H2
InChIKeyLNOPPEMQYYZUIE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds5

About 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64593683) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64593683
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNC1CCCC(C2CC2)C1)N1CCCC1
InChIInChI=1S/C16H28N2O/c19-16(18-10-1-2-11-18)8-9-17-15-5-3-4-14(12-15)13-6-7-13/h13-15,17H,1-12H2
InChIKeyLNOPPEMQYYZUIE-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
3-[(3-cyclopropylcyclohexyl)amino]propanoic acid
CID 64593896
3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
CID 107428755
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
3-[(3-cyclopropylcyclohexyl)amino]-N-ethylpropanamide
CID 113409677
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
3-[(3-cyclopropylcyclohexyl)amino]-N-propylpropanamide
CID 64623786
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411272
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
1-piperidin-1-yl-3-[(2-propyloxan-4-yl)amino]propan-1-one
CID 103991051
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 64593683) is 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNC1CCCC(C2CC2)C1)N1CCCC1.
What is the InChIKey of 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LNOPPEMQYYZUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-16(18-10-1-2-11-18)8-9-17-15-5-3-4-14(12-15)13-6-7-13/h13-15,17H,1-12H2.
What are the key properties of 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64593683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).