3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol

C8H17NO — CID 115011555

IUPAC3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1(CN)CC(O)C1
InChIInChI=1S/C8H17NO/c1-6(2)8(5-9)3-7(10)4-8/h6-7,10H,3-5,9H2,1-2H3
InChIKeyPLOMXHMTIZIGDT-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.74
Rot. Bonds2

About 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol

3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol (PubChem CID 115011555) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol
PubChem CID115011555
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1(CN)CC(O)C1
InChIInChI=1S/C8H17NO/c1-6(2)8(5-9)3-7(10)4-8/h6-7,10H,3-5,9H2,1-2H3
InChIKeyPLOMXHMTIZIGDT-UHFFFAOYSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol (CID 115011555) is 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol is CC(C)C1(CN)CC(O)C1.
What is the InChIKey of 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is PLOMXHMTIZIGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8(5-9)3-7(10)4-8/h6-7,10H,3-5,9H2,1-2H3.
What are the key properties of 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol?
3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 115011555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).