4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one

C15H28N2O — CID 119652276

IUPAC4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
SMILESCNCC1CCCN1C(=O)CCCC1CCCC1
InChIInChI=1S/C15H28N2O/c1-16-12-14-9-5-11-17(14)15(18)10-4-8-13-6-2-3-7-13/h13-14,16H,2-12H2,1H3
InChIKeyVMIQULOJPVPMAQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds6

About 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one

4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 119652276) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
PubChem CID119652276
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
SMILESCNCC1CCCN1C(=O)CCCC1CCCC1
InChIInChI=1S/C15H28N2O/c1-16-12-14-9-5-11-17(14)15(18)10-4-8-13-6-2-3-7-13/h13-14,16H,2-12H2,1H3
InChIKeyVMIQULOJPVPMAQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
1-[2-(methylaminomethyl)piperidin-1-yl]nonan-1-one
CID 65428283
1-[2-(methylaminomethyl)pyrrolidin-1-yl]hex-5-en-1-one
CID 119651767
1-[2-(methylaminomethyl)piperidin-1-yl]hept-6-yn-1-one
CID 114028615
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one;hydrochloride
CID 119650343
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
3,3-dimethyl-1-[2-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 63249773
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one;hydrochloride
CID 119649266

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one (CID 119652276) is 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one is CNCC1CCCN1C(=O)CCCC1CCCC1.
What is the InChIKey of 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is VMIQULOJPVPMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-12-14-9-5-11-17(14)15(18)10-4-8-13-6-2-3-7-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one?
4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 119652276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).