1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one

C11H21NO — CID 116607171

IUPAC1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1(C)CCCC1N
InChIInChI=1S/C11H21NO/c1-8(2)7-10(13)11(3)6-4-5-9(11)12/h8-9H,4-7,12H2,1-3H3
InChIKeyCGIHLLONLFPGSP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one

1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one (PubChem CID 116607171) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
PubChem CID116607171
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1(C)CCCC1N
InChIInChI=1S/C11H21NO/c1-8(2)7-10(13)11(3)6-4-5-9(11)12/h8-9H,4-7,12H2,1-3H3
InChIKeyCGIHLLONLFPGSP-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
2-amino-1-methyl-N-(4-methylpentan-2-yl)cyclopentane-1-carboxamide
CID 82763758
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
CID 82768685
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 82768358
propan-2-yl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762646
2-amino-N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 82764782
1-(2-amino-1-methylcyclopentyl)octan-1-one
CID 116607169
2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 82768526
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 82768546
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one (CID 116607171) is 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one is CC(C)CC(=O)C1(C)CCCC1N.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one?
The InChIKey is CGIHLLONLFPGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)7-10(13)11(3)6-4-5-9(11)12/h8-9H,4-7,12H2,1-3H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one?
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one is sourced from PubChem (CID 116607171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).