1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol

C11H21NO — CID 79124196

IUPAC1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(C2(CN)CCC2)C1
InChIInChI=1S/C11H21NO/c1-9-3-6-11(13,7-9)10(8-12)4-2-5-10/h9,13H,2-8,12H2,1H3
InChIKeyQRWYDCTWCGIBOO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.67
Rot. Bonds2

About 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol

1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol (PubChem CID 79124196) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
PubChem CID79124196
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(C2(CN)CCC2)C1
InChIInChI=1S/C11H21NO/c1-9-3-6-11(13,7-9)10(8-12)4-2-5-10/h9,13H,2-8,12H2,1H3
InChIKeyQRWYDCTWCGIBOO-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol (CID 79124196) is 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol is CC1CCC(O)(C2(CN)CCC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol?
The InChIKey is QRWYDCTWCGIBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-3-6-11(13,7-9)10(8-12)4-2-5-10/h9,13H,2-8,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol?
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol is sourced from PubChem (CID 79124196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).