(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol

C9H19NO — CID 90132841

IUPAC(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1[C@H](O)CCC[C@@H]1N
InChIInChI=1S/C9H19NO/c1-6(2)9-7(10)4-3-5-8(9)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyCPPSHGVOLBBRNM-YIZRAAEISA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds1

About (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol

(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol (PubChem CID 90132841) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol
PubChem CID90132841
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1[C@H](O)CCC[C@@H]1N
InChIInChI=1S/C9H19NO/c1-6(2)9-7(10)4-3-5-8(9)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyCPPSHGVOLBBRNM-YIZRAAEISA-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

cis-(1S,2R)-2-aminocyclopentan-1-ol;hydrochloride
CID 17039404
bis(2-aminocyclopentan-1-ol);dihydrochloride
CID 154776416
cis-(1R,2S)-2-aminocyclopentan-1-ol;cis-(1S,2R)-2-aminocyclopentan-1-ol;dihydrochloride
CID 171920852
(1S)-2,3-diaminocyclohexan-1-ol
CID 138662284
cis-(1S,2R)-2-aminocyclohexan-1-ol
CID 2724651
cis-(1R,2S)-2-aminocyclononan-1-ol
CID 130765109
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 68614086
cis-(1S,2R)-2-iodocyclopentan-1-amine
CID 90228959
1-(2-aminocyclononyl)ethanol
CID 123398875
8-propan-2-ylbicyclo[3.2.1]oct-6-ene
CID 155648026
2-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 115625051

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol (CID 90132841) is (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1[C@H](O)CCC[C@@H]1N.
What is the InChIKey of (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is CPPSHGVOLBBRNM-YIZRAAEISA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9-7(10)4-3-5-8(9)11/h6-9,11H,3-5,10H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,3S)-3-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 (1R,2S,3S)-3-amino-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 90132841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).