trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol

C13H23NO — CID 102731118

IUPACtrans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NC(C1CC1)C1CC1
InChIInChI=1S/C13H23NO/c15-12-4-2-1-3-11(12)14-13(9-5-6-9)10-7-8-10/h9-15H,1-8H2/t11-,12-/m0/s1
InChIKeyYKLZFYZPMGCPHA-RYUDHWBXSA-N
MW209.33 g/mol
LogP2.07
Rot. Bonds4

About trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol (PubChem CID 102731118) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol
PubChem CID102731118
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nametrans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1NC(C1CC1)C1CC1
InChIInChI=1S/C13H23NO/c15-12-4-2-1-3-11(12)14-13(9-5-6-9)10-7-8-10/h9-15H,1-8H2/t11-,12-/m0/s1
InChIKeyYKLZFYZPMGCPHA-RYUDHWBXSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[[(1S)-1-cyclopropylethyl]amino]cyclohexan-1-ol
CID 124679605
(2R)-2-(propan-2-ylamino)cycloheptan-1-ol
CID 166814951
trans-(1R,2R)-2-(3-methylbutan-2-ylamino)cycloheptan-1-ol
CID 130690757
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
trans-(1S,2S)-2-(3-methylbutan-2-ylamino)cyclopentan-1-ol
CID 102733069
trans-(1R,2R)-2-[[(2S)-3-methylbutan-2-yl]amino]cyclopentan-1-ol
CID 167275295
2-cyclohexyl-N-(dicyclopropylmethyl)cyclohexan-1-amine
CID 43768530
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
[2-(dicyclopropylmethylamino)cyclopentyl]methanol
CID 115723754
2-(3,3-dimethylbutan-2-ylamino)cyclohexan-1-ol
CID 104828064

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol (CID 102731118) is trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1NC(C1CC1)C1CC1.
What is the InChIKey of trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol?
The InChIKey is YKLZFYZPMGCPHA-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H23NO/c15-12-4-2-1-3-11(12)14-13(9-5-6-9)10-7-8-10/h9-15H,1-8H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(dicyclopropylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).