(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine

C8H17NO — CID 97102443

IUPAC(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
SMILESCO[C@@H]1[C@@H](C)[C@H](N)C1(C)C
InChIInChI=1S/C8H17NO/c1-5-6(9)8(2,3)7(5)10-4/h5-7H,9H2,1-4H3/t5-,6-,7+/m0/s1
InChIKeyKOBQGNWQYLVWBI-LYFYHCNISA-N
MW143.23 g/mol
LogP1.00
Rot. Bonds1

About (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine

(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine (PubChem CID 97102443) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
PubChem CID97102443
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
SMILESCO[C@@H]1[C@@H](C)[C@H](N)C1(C)C
InChIInChI=1S/C8H17NO/c1-5-6(9)8(2,3)7(5)10-4/h5-7H,9H2,1-4H3/t5-,6-,7+/m0/s1
InChIKeyKOBQGNWQYLVWBI-LYFYHCNISA-N
XLogP1.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol
CID 142537567
3,3,5,6-tetramethylbicyclo[2.2.0]hexan-2-amine
CID 123768009
(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol
CID 100924891
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229
trans-(1S,3S)-2,2-difluoro-3-methylcyclopropan-1-amine;hydrochloride
CID 168955835
1-methylcyclopropane-1,2,3-triamine
CID 163904501
(3R)-3-methoxy-4,4-dimethyloxolan-2-ol
CID 45082816
N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 124726941
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide
CID 120641296
5-methoxy-3,3-dimethylcyclohexan-1-amine;hydrochloride
CID 90019437
4-methoxy-3,3,5-trimethylpyrrolidin-2-one
CID 130010210

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The IUPAC name of (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine (CID 97102443) is (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine.
What is the SMILES notation for (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The canonical SMILES for (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine is CO[C@@H]1[C@@H](C)[C@H](N)C1(C)C.
What is the InChIKey of (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The InChIKey is KOBQGNWQYLVWBI-LYFYHCNISA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6(9)8(2,3)7(5)10-4/h5-7H,9H2,1-4H3/t5-,6-,7+/m0/s1.
What are the key properties of (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine has a molecular weight of 143.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine is sourced from PubChem (CID 97102443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).