1-(cyclopentylamino)-3-propoxypropan-2-one

C11H21NO2 — CID 116559105

IUPAC1-(cyclopentylamino)-3-propoxypropan-2-one
SMILESCCCOCC(=O)CNC1CCCC1
InChIInChI=1S/C11H21NO2/c1-2-7-14-9-11(13)8-12-10-5-3-4-6-10/h10,12H,2-9H2,1H3
InChIKeyJFQDSYMORDEDAI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.51
Rot. Bonds7

About 1-(cyclopentylamino)-3-propoxypropan-2-one

1-(cyclopentylamino)-3-propoxypropan-2-one (PubChem CID 116559105) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-propoxypropan-2-one.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-propoxypropan-2-one
PubChem CID116559105
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(cyclopentylamino)-3-propoxypropan-2-one
SMILESCCCOCC(=O)CNC1CCCC1
InChIInChI=1S/C11H21NO2/c1-2-7-14-9-11(13)8-12-10-5-3-4-6-10/h10,12H,2-9H2,1H3
InChIKeyJFQDSYMORDEDAI-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentylsulfanyl-3-propoxypropan-2-one
CID 79566616
1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
CID 107937213
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
1-(cyclopentylamino)-4-ethylhexan-2-one
CID 116559114
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
butyl 2-(cyclooctylamino)acetate
CID 54917785
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
1-(cyclopentylamino)-4-methylhexan-2-one
CID 116558992
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
1-(cyclopentylamino)pent-4-yn-2-one
CID 116558943
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(cyclopentylamino)acetate
CID 104563132

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-propoxypropan-2-one?
The IUPAC name of 1-(cyclopentylamino)-3-propoxypropan-2-one (CID 116559105) is 1-(cyclopentylamino)-3-propoxypropan-2-one.
What is the SMILES notation for 1-(cyclopentylamino)-3-propoxypropan-2-one?
The canonical SMILES for 1-(cyclopentylamino)-3-propoxypropan-2-one is CCCOCC(=O)CNC1CCCC1.
What is the InChIKey of 1-(cyclopentylamino)-3-propoxypropan-2-one?
The InChIKey is JFQDSYMORDEDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-14-9-11(13)8-12-10-5-3-4-6-10/h10,12H,2-9H2,1H3.
What are the key properties of 1-(cyclopentylamino)-3-propoxypropan-2-one?
1-(cyclopentylamino)-3-propoxypropan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-propoxypropan-2-one is sourced from PubChem (CID 116559105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).