[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine

C9H19NO — CID 167718097

IUPAC[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
SMILESCC(C)(C)O[C@@H]1CC[C@H]1CN
InChIInChI=1S/C9H19NO/c1-9(2,3)11-8-5-4-7(8)6-10/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1
InChIKeyBCPWKBKIOFUMTD-JGVFFNPUSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine

[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine (PubChem CID 167718097) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine.

Molecular Properties

Compound Name[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
PubChem CID167718097
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine
SMILESCC(C)(C)O[C@@H]1CC[C@H]1CN
InChIInChI=1S/C9H19NO/c1-9(2,3)11-8-5-4-7(8)6-10/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1
InChIKeyBCPWKBKIOFUMTD-JGVFFNPUSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 53619936
3-(Tert-butoxy)-2,2-dimethylcyclobutan-1-amine
CID 66357626
2-(3-Ethoxycyclobutyl)ethan-1-amine
CID 75525843
2-[3-(Tert-butoxy)cyclobutyl]ethan-1-amine
CID 86775227
(3-(Tert-butoxy)cyclobutyl)methanamine hydrochloride
CID 138039715
rac-1-((1R,2S)-2-(tert-butoxy)cyclobutyl)methanamine hydrochloride
CID 167728009
2-(Propan-2-yloxymethyl)pentane-1,5-diamine
CID 20137432
5-(Tert-butoxy)pentan-1-amine
CID 61522325
[3-(2-Methylbutoxy)cyclobutyl]methanamine
CID 65980464
1-[(1r,3r)-3-(2-Methylpropoxy)cyclobutyl]methanamine
CID 65981115
(3-Propoxycyclobutyl)methanamine
CID 65981972
1-(2-Methoxycyclobutyl)methanamine
CID 68694340

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
The IUPAC name of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine (CID 167718097) is [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine.
What is the SMILES notation for [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
The canonical SMILES for [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine is CC(C)(C)O[C@@H]1CC[C@H]1CN.
What is the InChIKey of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
The InChIKey is BCPWKBKIOFUMTD-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)11-8-5-4-7(8)6-10/h7-8H,4-6,10H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine?
[(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[(2-methylpropan-2-yl)oxy]cyclobutyl]methanamine is sourced from PubChem (CID 167718097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).