3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one

C14H27NO — CID 142227816

IUPAC3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
SMILESCCC(C)(C)C(=O)C(N)CCC1CCCC1
InChIInChI=1S/C14H27NO/c1-4-14(2,3)13(16)12(15)10-9-11-7-5-6-8-11/h11-12H,4-10,15H2,1-3H3
InChIKeyQWMCOMIBEQLJKB-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.29
Rot. Bonds6

About 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one

3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one (PubChem CID 142227816) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one.

Molecular Properties

Compound Name3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
PubChem CID142227816
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one
SMILESCCC(C)(C)C(=O)C(N)CCC1CCCC1
InChIInChI=1S/C14H27NO/c1-4-14(2,3)13(16)12(15)10-9-11-7-5-6-8-11/h11-12H,4-10,15H2,1-3H3
InChIKeyQWMCOMIBEQLJKB-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-amino-1-cyclohexyl-4,4-dimethylpentan-3-one
CID 121368311
2-amino-4-cyclohexylbutanoic acid;2,2,2-trifluoroacetic acid
CID 70021920
2-(2-cyclopentylethyl)-N-ethyl-4,4-dimethylpentanamide
CID 70910476
ethyl (2S)-4-cyclohexyl-2-methylbutanoate
CID 59355198
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
1-cyclohexylhexan-3-amine
CID 43370456
(2S,3R)-2-(2-cyclopentylethyl)-5,5-dimethyl-4-oxo-3-propan-2-ylhexanamide
CID 59060113
(2S)-2-(tert-butylamino)-4-cyclohexylbutanamide
CID 122595251
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CID 161063092

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one?
The IUPAC name of 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one (CID 142227816) is 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one.
What is the SMILES notation for 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one?
The canonical SMILES for 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one is CCC(C)(C)C(=O)C(N)CCC1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one?
The InChIKey is QWMCOMIBEQLJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-14(2,3)13(16)12(15)10-9-11-7-5-6-8-11/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one?
3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one has a molecular weight of 225.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentyl-5,5-dimethylheptan-4-one is sourced from PubChem (CID 142227816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).