trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol

C10H19NO — CID 94415967

IUPACtrans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol
SMILESC=C(C)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H19NO/c1-8(2)7-11-9-5-3-4-6-10(9)12/h9-12H,1,3-7H2,2H3/t9-,10-/m1/s1
InChIKeyBWGCEBXNLPAELM-NXEZZACHSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol (PubChem CID 94415967) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol
PubChem CID94415967
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nametrans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol
SMILESC=C(C)CN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H19NO/c1-8(2)7-11-9-5-3-4-6-10(9)12/h9-12H,1,3-7H2,2H3/t9-,10-/m1/s1
InChIKeyBWGCEBXNLPAELM-NXEZZACHSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rac-(1R,2R)-2-((propan-2-yl)amino)cyclohexan-1-ol
CID 11030075
2-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 5213647
trans-2-(Tert-butylamino)cyclohexan-1-ol
CID 11126723
trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
CID 13447992
2-(Propylamino)cyclohexan-1-ol
CID 15560801
(1S,2S)-2-(tert-butylamino)cyclohexan-1-ol
CID 59118617
trans-(1R,2R)-2-(butylamino)cyclohexan-1-ol
CID 13343834
trans-(1S,2S)-2-(propylamino)cyclohexan-1-ol
CID 28660473
cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol
CID 93317475
cis-(1S,2R)-2-(2-methylpropylamino)cyclohexan-1-ol
CID 11499291
N-2-hydroxycyclohexyl-N-t-butylamine
CID 11695501
trans-(1S,2S)-2-(2,2-dimethylpropylamino)cyclohexan-1-ol
CID 12165577

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol (CID 94415967) is trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol is C=C(C)CN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol?
The InChIKey is BWGCEBXNLPAELM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-11-9-5-3-4-6-10(9)12/h9-12H,1,3-7H2,2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methylprop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 94415967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).