[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine

C12H23NO — CID 116874929

IUPAC[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine
SMILESCC(C)(C)C1(C2(CN)CCC2)COC1
InChIInChI=1S/C12H23NO/c1-10(2,3)12(8-14-9-12)11(7-13)5-4-6-11/h4-9,13H2,1-3H3
InChIKeySUKPIOSXZBWNHU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds2

About [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine

[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine (PubChem CID 116874929) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine
PubChem CID116874929
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine
SMILESCC(C)(C)C1(C2(CN)CCC2)COC1
InChIInChI=1S/C12H23NO/c1-10(2,3)12(8-14-9-12)11(7-13)5-4-6-11/h4-9,13H2,1-3H3
InChIKeySUKPIOSXZBWNHU-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 81168839
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[3-(aminomethyl)oxan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 103738417
(3-tert-butyloxolan-3-yl)methanamine
CID 83815554
1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874610
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[1-[3-(2,3,4-trimethylphenyl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874955
[1-(trimethylsilylmethyl)cyclobutyl]methanamine
CID 106323651
[1-[2-(3-tert-butyl-5-propan-2-ylphenyl)ethyl]cyclobutyl]methanamine;[3-[2-(3-tert-butyl-5-propan-2-ylphenyl)ethyl]oxetan-3-yl]methanamine
CID 159429336
1-[1-(aminomethyl)cyclobutyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 79128825
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
1-[4-(aminomethyl)oxan-4-yl]-2,2-dimethylcyclopentan-1-ol
CID 79863221

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine (CID 116874929) is [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine is CC(C)(C)C1(C2(CN)CCC2)COC1.
What is the InChIKey of [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine?
The InChIKey is SUKPIOSXZBWNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2,3)12(8-14-9-12)11(7-13)5-4-6-11/h4-9,13H2,1-3H3.
What are the key properties of [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine?
[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116874929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).