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

C11H21NO — CID 165447050

IUPAC1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
SMILESNCC1(C(O)CCC2CC2)CCC1
InChIInChI=1S/C11H21NO/c12-8-11(6-1-7-11)10(13)5-4-9-2-3-9/h9-10,13H,1-8,12H2
InChIKeyBWFCOGIJMODWDM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.67
Rot. Bonds5

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

1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol (PubChem CID 165447050) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
PubChem CID165447050
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
SMILESNCC1(C(O)CCC2CC2)CCC1
InChIInChI=1S/C11H21NO/c12-8-11(6-1-7-11)10(13)5-4-9-2-3-9/h9-10,13H,1-8,12H2
InChIKeyBWFCOGIJMODWDM-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-cyclopropylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol (CID 165447050) is 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol is NCC1(C(O)CCC2CC2)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol?
The InChIKey is BWFCOGIJMODWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c12-8-11(6-1-7-11)10(13)5-4-9-2-3-9/h9-10,13H,1-8,12H2.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol?
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.67, 5 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-cyclopropylpropan-1-ol is sourced from PubChem (CID 165447050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).