trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol

C7H15NO — CID 10964528

IUPACtrans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@H]1N
InChIInChI=1S/C7H15NO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyGOMUTBIHKDUNDP-RQJHMYQMSA-N
MW129.20 g/mol
LogP0.64
Rot. Bonds

About trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol

trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol (PubChem CID 10964528) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
PubChem CID10964528
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nametrans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
SMILESC[C@]1(O)CCCC[C@H]1N
InChIInChI=1S/C7H15NO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyGOMUTBIHKDUNDP-RQJHMYQMSA-N
XLogP0.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
cis-(1S,2S)-2-bromo-1-methylcyclohexan-1-ol
CID 129404972
cis-(1S,2S)-2-chloro-1-methylcyclohexan-1-ol
CID 93341086
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol
CID 178196658
trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 178196709
2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314913
trans-(1S,2R)-2-amino-1-methylcycloheptane-1-carboxylic acid
CID 67314910
cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol (CID 10964528) is trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol is C[C@]1(O)CCCC[C@H]1N.
What is the InChIKey of trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol?
The InChIKey is GOMUTBIHKDUNDP-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(9)5-3-2-4-6(7)8/h6,9H,2-5,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol?
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol is sourced from PubChem (CID 10964528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).