[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol

C8H17NO — CID 54016362

IUPAC[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol
SMILESCC1(C)CC(CN)(CO)C1
InChIInChI=1S/C8H17NO/c1-7(2)3-8(4-7,5-9)6-10/h10H,3-6,9H2,1-2H3
InChIKeyKVXAUCCBQXOOPV-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.74
Rot. Bonds2

About [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol

[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol (PubChem CID 54016362) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol
PubChem CID54016362
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol
SMILESCC1(C)CC(CN)(CO)C1
InChIInChI=1S/C8H17NO/c1-7(2)3-8(4-7,5-9)6-10/h10H,3-6,9H2,1-2H3
InChIKeyKVXAUCCBQXOOPV-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 [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol?
The IUPAC name of [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol (CID 54016362) is [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol?
The canonical SMILES for [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol is CC1(C)CC(CN)(CO)C1.
What is the InChIKey of [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol?
The InChIKey is KVXAUCCBQXOOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)3-8(4-7,5-9)6-10/h10H,3-6,9H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol?
[1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol 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 [1-(aminomethyl)-3,3-dimethylcyclobutyl]methanol is sourced from PubChem (CID 54016362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).