1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one

C12H21NO — CID 116557677

IUPAC1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
SMILESO=C(CNCC1CC1)CC1CCCC1
InChIInChI=1S/C12H21NO/c14-12(7-10-3-1-2-4-10)9-13-8-11-5-6-11/h10-11,13H,1-9H2
InChIKeyNNYKJGSOCQFBJH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.14
Rot. Bonds6

About 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one

1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one (PubChem CID 116557677) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
PubChem CID116557677
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
SMILESO=C(CNCC1CC1)CC1CCCC1
InChIInChI=1S/C12H21NO/c14-12(7-10-3-1-2-4-10)9-13-8-11-5-6-11/h10-11,13H,1-9H2
InChIKeyNNYKJGSOCQFBJH-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentylmethyl 2-(cyclopropylmethylamino)acetate
CID 66323510
1-cycloheptyl-2-(cyclopropylmethylamino)ethanone
CID 116557770
2-cyclohexyl-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119766987
N-cyclopentyloxy-2-(cyclopropylmethylamino)acetamide
CID 83235393
cycloheptylmethyl 2-(cyclopropylmethylamino)acetate
CID 114248573
1-(cyclobutylmethylamino)propan-2-one
CID 115234815
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
(cyclononylmethylamino)methanol
CID 137465268
1-(azepan-1-yl)-2-(cyclopentylmethylamino)ethanone
CID 43371059
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
2-(cyclohexylmethylamino)-1-piperidin-1-ylethanone
CID 43216149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one?
The IUPAC name of 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one (CID 116557677) is 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one.
What is the SMILES notation for 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one?
The canonical SMILES for 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one is O=C(CNCC1CC1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one?
The InChIKey is NNYKJGSOCQFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(7-10-3-1-2-4-10)9-13-8-11-5-6-11/h10-11,13H,1-9H2.
What are the key properties of 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one?
1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one is sourced from PubChem (CID 116557677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).