2-butylcyclopentan-1-one;N,N-dimethylmethanamine

C12H25NO — CID 145289923

IUPAC2-butylcyclopentan-1-one;N,N-dimethylmethanamine
SMILESCCCCC1CCCC1=O.CN(C)C
InChIInChI=1S/C9H16O.C3H9N/c1-2-3-5-8-6-4-7-9(8)10;1-4(2)3/h8H,2-7H2,1H3;1-3H3
InChIKeyREUQCHYIMZELFT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds3

About 2-butylcyclopentan-1-one;N,N-dimethylmethanamine

2-butylcyclopentan-1-one;N,N-dimethylmethanamine (PubChem CID 145289923) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-butylcyclopentan-1-one;N,N-dimethylmethanamine.

Molecular Properties

Compound Name2-butylcyclopentan-1-one;N,N-dimethylmethanamine
PubChem CID145289923
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-butylcyclopentan-1-one;N,N-dimethylmethanamine
SMILESCCCCC1CCCC1=O.CN(C)C
InChIInChI=1S/C9H16O.C3H9N/c1-2-3-5-8-6-4-7-9(8)10;1-4(2)3/h8H,2-7H2,1H3;1-3H3
InChIKeyREUQCHYIMZELFT-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylcyclopentan-1-one;methanamine
CID 174247706
2-decylcyclopentan-1-one
CID 12823821
2-butylcyclohexan-1-one;ethene
CID 174843360
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-nonylcyclododecan-1-one
CID 14296722
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
2-(3-ethoxypropyl)cyclopentan-1-one
CID 65180867
2-(2-butylsulfonylethyl)cyclopentan-1-one
CID 79576845
formic acid;2-pentylcyclohexan-1-one
CID 174877274
2-butyl-4-(dimethylamino)cyclohexan-1-one
CID 150896185
2-(3-butylsulfonylpropyl)cyclododecan-1-one
CID 20501205
2-(5,5-dimethylhexyl)cyclopentan-1-one
CID 90715484

Frequently Asked Questions

What is the IUPAC name of 2-butylcyclopentan-1-one;N,N-dimethylmethanamine?
The IUPAC name of 2-butylcyclopentan-1-one;N,N-dimethylmethanamine (CID 145289923) is 2-butylcyclopentan-1-one;N,N-dimethylmethanamine.
What is the SMILES notation for 2-butylcyclopentan-1-one;N,N-dimethylmethanamine?
The canonical SMILES for 2-butylcyclopentan-1-one;N,N-dimethylmethanamine is CCCCC1CCCC1=O.CN(C)C.
What is the InChIKey of 2-butylcyclopentan-1-one;N,N-dimethylmethanamine?
The InChIKey is REUQCHYIMZELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C3H9N/c1-2-3-5-8-6-4-7-9(8)10;1-4(2)3/h8H,2-7H2,1H3;1-3H3.
What are the key properties of 2-butylcyclopentan-1-one;N,N-dimethylmethanamine?
2-butylcyclopentan-1-one;N,N-dimethylmethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylcyclopentan-1-one;N,N-dimethylmethanamine is sourced from PubChem (CID 145289923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).