trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol

C9H19NO — CID 130207945

IUPACtrans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CC[C@@H](N)C[C@H]1O
InChIInChI=1S/C9H19NO/c1-6(2)8-4-3-7(10)5-9(8)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8?,9-/m1/s1
InChIKeyGNQMLGPMTHEJCC-PSGOWDBMSA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds1

About trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol

trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol (PubChem CID 130207945) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
PubChem CID130207945
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CC[C@@H](N)C[C@H]1O
InChIInChI=1S/C9H19NO/c1-6(2)8-4-3-7(10)5-9(8)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8?,9-/m1/s1
InChIKeyGNQMLGPMTHEJCC-PSGOWDBMSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791
4-amino-2,6-di(propan-2-yl)cyclohexan-1-ol
CID 58351133
(1R,2R,5R)-5-amino-2-propan-2-ylsulfanylcyclohexan-1-ol
CID 169031289
(1S,2S,5S)-5-amino-2-methylcyclohexan-1-ol;(1R,2R,5R)-5-amino-2-methylcyclohexan-1-ol;methane
CID 159718639
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
(1S,2R,4S)-4-amino-2-methylcyclohexan-1-ol
CID 124537900
(3S,4R)-1-methyl-4-propan-2-ylpiperidin-3-ol
CID 121424108

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol (CID 130207945) is trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol is CC(C)C1CC[C@@H](N)C[C@H]1O.
What is the InChIKey of trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is GNQMLGPMTHEJCC-PSGOWDBMSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)8-4-3-7(10)5-9(8)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8?,9-/m1/s1.
What are the key properties of trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol?
trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-5-amino-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 130207945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).