trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol

C10H21NO — CID 11126723

IUPACtrans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol
SMILESCC(C)(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21NO/c1-10(2,3)11-8-6-4-5-7-9(8)12/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyHEVRPBBGMVDMDN-RKDXNWHRSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds1

About trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol (PubChem CID 11126723) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol
PubChem CID11126723
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nametrans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol
SMILESCC(C)(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H21NO/c1-10(2,3)11-8-6-4-5-7-9(8)12/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyHEVRPBBGMVDMDN-RKDXNWHRSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol (CID 11126723) is trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol is CC(C)(C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol?
The InChIKey is HEVRPBBGMVDMDN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)11-8-6-4-5-7-9(8)12/h8-9,11-12H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(tert-butylamino)cyclohexan-1-ol is sourced from PubChem (CID 11126723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).