(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane

C15H34N2O2 — CID 159718639

IUPAC(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
SMILESC.C[C@@H]1CC[C@@H](N)C[C@H]1O.C[C@H]1CC[C@H](N)C[C@@H]1O
InChIInChI=1S/2C7H15NO.CH4/c2*1-5-2-3-6(8)4-7(5)9;/h2*5-7,9H,2-4,8H2,1H3;1H4/t2*5-,6-,7-;/m10./s1
InChIKeyMZTBVQOHUSMCEI-VBCMEUMTSA-N
MW274.45 g/mol
LogP1.63
Rot. Bonds

About (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane

(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane (PubChem CID 159718639) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane.

Molecular Properties

Compound Name(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
PubChem CID159718639
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Name(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
SMILESC.C[C@@H]1CC[C@@H](N)C[C@H]1O.C[C@H]1CC[C@H](N)C[C@@H]1O
InChIInChI=1S/2C7H15NO.CH4/c2*1-5-2-3-6(8)4-7(5)9;/h2*5-7,9H,2-4,8H2,1H3;1H4/t2*5-,6-,7-;/m10./s1
InChIKeyMZTBVQOHUSMCEI-VBCMEUMTSA-N
XLogP1.63
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
trans-(1S,4S)-4-methylcyclohexane-1,3-diol
CID 142273228
trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
CID 130207945
2,5-dimethylcyclohexan-1-ol;propane
CID 142087287
(1S,2S,4S)-2,4-diaminocyclohexan-1-ol
CID 55289345
3-aminocyclopentan-1-ol;ethane
CID 144981128
(5R)-2-methyl-5-(methylamino)cyclohexan-1-ol
CID 176717328
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1R)-3-methylcyclopentan-1-amine
CID 58346799

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane?
The IUPAC name of (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane (CID 159718639) is (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane.
What is the SMILES notation for (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane?
The canonical SMILES for (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane is C.C[C@@H]1CC[C@@H](N)C[C@H]1O.C[C@H]1CC[C@H](N)C[C@@H]1O.
What is the InChIKey of (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane?
The InChIKey is MZTBVQOHUSMCEI-VBCMEUMTSA-N. The full InChI is InChI=1S/2C7H15NO.CH4/c2*1-5-2-3-6(8)4-7(5)9;/h2*5-7,9H,2-4,8H2,1H3;1H4/t2*5-,6-,7-;/m10./s1.
What are the key properties of (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane?
(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane has a molecular weight of 274.45 g/mol, XLogP of 1.63, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane is sourced from PubChem (CID 159718639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).