1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone

C11H21NO — CID 89340601

IUPAC1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
SMILESCC(=O)C1CCCC1CNC(C)C
InChIInChI=1S/C11H21NO/c1-8(2)12-7-10-5-4-6-11(10)9(3)13/h8,10-12H,4-7H2,1-3H3
InChIKeyMJVOYKWMVAFGMG-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone

1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone (PubChem CID 89340601) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
PubChem CID89340601
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
SMILESCC(=O)C1CCCC1CNC(C)C
InChIInChI=1S/C11H21NO/c1-8(2)12-7-10-5-4-6-11(10)9(3)13/h8,10-12H,4-7H2,1-3H3
InChIKeyMJVOYKWMVAFGMG-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
1-(2-prop-2-ynylcyclopentyl)ethanone
CID 12676535
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
1-[(1R,2R)-2-prop-2-ynylcyclohexyl]ethanone
CID 45086319
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
CID 114477712
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
N-[(2-methoxycyclopentyl)methyl]propan-2-amine
CID 170206706
1-(2-acetylcyclopentyl)ethanone;cyclopentane;iron
CID 158478466
5-(aminomethyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one;methane;2-methyl-1-[2-[(propan-2-ylamino)methyl]cyclohexyl]propan-1-one;2-methyl-5-[(propan-2-ylamino)methyl]-6-sulfanylhexan-3-one
CID 161052060
N-[[2-(cyclohexylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81034855
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone?
The IUPAC name of 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone (CID 89340601) is 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone.
What is the SMILES notation for 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone?
The canonical SMILES for 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone is CC(=O)C1CCCC1CNC(C)C.
What is the InChIKey of 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone?
The InChIKey is MJVOYKWMVAFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)12-7-10-5-4-6-11(10)9(3)13/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone?
1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone has a molecular weight of 183.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone is sourced from PubChem (CID 89340601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).