3-amino-1-cyclopentylhexan-1-one

C11H21NO — CID 116607728

IUPAC3-amino-1-cyclopentylhexan-1-one
SMILESCCCC(N)CC(=O)C1CCCC1
InChIInChI=1S/C11H21NO/c1-2-5-10(12)8-11(13)9-6-3-4-7-9/h9-10H,2-8,12H2,1H3
InChIKeyUKFVYXRJEJYLBC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-1-cyclopentylhexan-1-one

3-amino-1-cyclopentylhexan-1-one (PubChem CID 116607728) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-amino-1-cyclopentylhexan-1-one.

Molecular Properties

Compound Name3-amino-1-cyclopentylhexan-1-one
PubChem CID116607728
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-amino-1-cyclopentylhexan-1-one
SMILESCCCC(N)CC(=O)C1CCCC1
InChIInChI=1S/C11H21NO/c1-2-5-10(12)8-11(13)9-6-3-4-7-9/h9-10H,2-8,12H2,1H3
InChIKeyUKFVYXRJEJYLBC-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-cyclohexylhexan-1-one
CID 116607761
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
3-(aminomethyl)-1-cyclohexylpentan-1-one
CID 116596160
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
1-cycloheptylbutan-1-one
CID 54353743
5-aminooctan-3-one
CID 116607745
tert-butyl 2-amino-4-cyclopentyl-4-oxobutanoate
CID 104749788
1,3-dicyclohexylpentan-1-one
CID 145376724
ethyl (2R)-2-(2-cyclohexyl-2-oxoethyl)-3-methylidene-4-oxopentanoate
CID 177480120
3-amino-N-cyclopropylhexanamide;ethane;molecular hydrogen
CID 143418812
3-aminohexanoyl chloride;hydrochloride
CID 174572302
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopentylhexan-1-one?
The IUPAC name of 3-amino-1-cyclopentylhexan-1-one (CID 116607728) is 3-amino-1-cyclopentylhexan-1-one.
What is the SMILES notation for 3-amino-1-cyclopentylhexan-1-one?
The canonical SMILES for 3-amino-1-cyclopentylhexan-1-one is CCCC(N)CC(=O)C1CCCC1.
What is the InChIKey of 3-amino-1-cyclopentylhexan-1-one?
The InChIKey is UKFVYXRJEJYLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-5-10(12)8-11(13)9-6-3-4-7-9/h9-10H,2-8,12H2,1H3.
What are the key properties of 3-amino-1-cyclopentylhexan-1-one?
3-amino-1-cyclopentylhexan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopentylhexan-1-one is sourced from PubChem (CID 116607728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).