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

C9H19NO — CID 71758156

IUPAC3-[1-(aminomethyl)cyclobutyl]butan-1-ol
SMILESCC(CCO)C1(CN)CCC1
InChIInChI=1S/C9H19NO/c1-8(3-6-11)9(7-10)4-2-5-9/h8,11H,2-7,10H2,1H3
InChIKeyWEFPBWBKWIEGRZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds4

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

3-[1-(aminomethyl)cyclobutyl]butan-1-ol (PubChem CID 71758156) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutyl]butan-1-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutyl]butan-1-ol
PubChem CID71758156
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[1-(aminomethyl)cyclobutyl]butan-1-ol
SMILESCC(CCO)C1(CN)CCC1
InChIInChI=1S/C9H19NO/c1-8(3-6-11)9(7-10)4-2-5-9/h8,11H,2-7,10H2,1H3
InChIKeyWEFPBWBKWIEGRZ-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutyl]butan-1-ol?
The IUPAC name of 3-[1-(aminomethyl)cyclobutyl]butan-1-ol (CID 71758156) is 3-[1-(aminomethyl)cyclobutyl]butan-1-ol.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutyl]butan-1-ol?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutyl]butan-1-ol is CC(CCO)C1(CN)CCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutyl]butan-1-ol?
The InChIKey is WEFPBWBKWIEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(3-6-11)9(7-10)4-2-5-9/h8,11H,2-7,10H2,1H3.
What are the key properties of 3-[1-(aminomethyl)cyclobutyl]butan-1-ol?
3-[1-(aminomethyl)cyclobutyl]butan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutyl]butan-1-ol is sourced from PubChem (CID 71758156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).