1-(2-amino-1-methylcyclopentyl)octan-1-one

C14H27NO — CID 116607169

IUPAC1-(2-amino-1-methylcyclopentyl)octan-1-one
SMILESCCCCCCCC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-13(16)14(2)11-8-9-12(14)15/h12H,3-11,15H2,1-2H3
InChIKeySGFNWIHHNZJEKA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.43
Rot. Bonds7

About 1-(2-amino-1-methylcyclopentyl)octan-1-one

1-(2-amino-1-methylcyclopentyl)octan-1-one (PubChem CID 116607169) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)octan-1-one.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)octan-1-one
PubChem CID116607169
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(2-amino-1-methylcyclopentyl)octan-1-one
SMILESCCCCCCCC(=O)C1(C)CCCC1N
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-13(16)14(2)11-8-9-12(14)15/h12H,3-11,15H2,1-2H3
InChIKeySGFNWIHHNZJEKA-UHFFFAOYSA-N
XLogP3.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-methyl-N,N-dipentylcyclopentane-1-carboxamide
CID 82763489
1-(4-amino-3-methyloxolan-3-yl)octan-1-one
CID 116563036
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
2-amino-N-(3-ethylpentan-3-yl)-1-methylcyclopentane-1-carboxamide
CID 82767363
1-(1-aminocyclobutyl)octan-1-one
CID 116598372
1-(2,2-dimethylcyclopentyl)heptan-1-one
CID 107186757
1-(1-aminocyclopropyl)tridecan-1-one
CID 116576674
1-[(1S,2R)-1-methyl-2-triethylsilyloxycyclopentyl]pentan-1-one
CID 101364444
1-(1-hydroxycyclohexyl)tridecan-1-one
CID 103449729
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylcyclopentane-1-carboxamide
CID 82768610

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)octan-1-one?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)octan-1-one (CID 116607169) is 1-(2-amino-1-methylcyclopentyl)octan-1-one.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)octan-1-one?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)octan-1-one is CCCCCCCC(=O)C1(C)CCCC1N.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)octan-1-one?
The InChIKey is SGFNWIHHNZJEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-10-13(16)14(2)11-8-9-12(14)15/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)octan-1-one?
1-(2-amino-1-methylcyclopentyl)octan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.43, 7 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)octan-1-one is sourced from PubChem (CID 116607169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).