cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol

C6H13NO — CID 97300410

IUPACcis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)[C@H](N)C[C@@H]1O
InChIInChI=1S/C6H13NO/c1-6(2)4(7)3-5(6)8/h4-5,8H,3,7H2,1-2H3/t4-,5+/m1/s1
InChIKeyMLXIQOVWRZVXSV-UHNVWZDZSA-N
MW115.18 g/mol
LogP0.10
Rot. Bonds

About cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol

cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol (PubChem CID 97300410) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
PubChem CID97300410
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Namecis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)[C@H](N)C[C@@H]1O
InChIInChI=1S/C6H13NO/c1-6(2)4(7)3-5(6)8/h4-5,8H,3,7H2,1-2H3/t4-,5+/m1/s1
InChIKeyMLXIQOVWRZVXSV-UHNVWZDZSA-N
XLogP0.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-tetramethylbicyclo[3.1.0]hexan-3-amine
CID 59730599
2,2,4-trimethylcyclopentane-1,3-diol
CID 142602394
2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine
CID 114630033
trans-(3S,5S)-4,4,5-trimethylcyclohexane-1,3-diol
CID 118049120
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
(1R,2S,3R,5S)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 126970080
(1R,2R,3S,5R)-3-amino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 10986679
2,2-dimethyl-3-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 164656547
3-[(1R,3R)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656123
3-(3-amino-2,2-dimethylcyclobutyl)propanoic acid
CID 73094410
2-hydroxy-1,1-dimethyl-4-(sulfamoylamino)cyclobutane
CID 114632810

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol (CID 97300410) is cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol is CC1(C)[C@H](N)C[C@@H]1O.
What is the InChIKey of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol?
The InChIKey is MLXIQOVWRZVXSV-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)4(7)3-5(6)8/h4-5,8H,3,7H2,1-2H3/t4-,5+/m1/s1.
What are the key properties of cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol?
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol has a molecular weight of 115.18 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 97300410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).