2-butylcyclopentan-1-one;methanamine

C12H31N3O — CID 174247706

IUPAC2-butylcyclopentan-1-one;methanamine
SMILESCCCCC1CCCC1=O.CN.CN.CN
InChIInChI=1S/C9H16O.3CH5N/c1-2-3-5-8-6-4-7-9(8)10;3*1-2/h8H,2-7H2,1H3;3*2H2,1H3
InChIKeyVLHJFNLHFYVNIF-UHFFFAOYSA-N
MW233.40 g/mol
LogP1.27
Rot. Bonds3

About 2-butylcyclopentan-1-one;methanamine

2-butylcyclopentan-1-one;methanamine (PubChem CID 174247706) has the molecular formula C12H31N3O and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-butylcyclopentan-1-one;methanamine.

Molecular Properties

Compound Name2-butylcyclopentan-1-one;methanamine
PubChem CID174247706
Molecular FormulaC12H31N3O
Molecular Weight233.40 g/mol
Exact Mass233.25
IUPAC Name2-butylcyclopentan-1-one;methanamine
SMILESCCCCC1CCCC1=O.CN.CN.CN
InChIInChI=1S/C9H16O.3CH5N/c1-2-3-5-8-6-4-7-9(8)10;3*1-2/h8H,2-7H2,1H3;3*2H2,1H3
InChIKeyVLHJFNLHFYVNIF-UHFFFAOYSA-N
XLogP1.27
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butylcyclopentan-1-one;methanamine?
The IUPAC name of 2-butylcyclopentan-1-one;methanamine (CID 174247706) is 2-butylcyclopentan-1-one;methanamine.
What is the SMILES notation for 2-butylcyclopentan-1-one;methanamine?
The canonical SMILES for 2-butylcyclopentan-1-one;methanamine is CCCCC1CCCC1=O.CN.CN.CN.
What is the InChIKey of 2-butylcyclopentan-1-one;methanamine?
The InChIKey is VLHJFNLHFYVNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.3CH5N/c1-2-3-5-8-6-4-7-9(8)10;3*1-2/h8H,2-7H2,1H3;3*2H2,1H3.
What are the key properties of 2-butylcyclopentan-1-one;methanamine?
2-butylcyclopentan-1-one;methanamine has a molecular weight of 233.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylcyclopentan-1-one;methanamine is sourced from PubChem (CID 174247706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).