trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol

C12H23NO — CID 102731666

IUPACtrans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
SMILESCC(CN[C@@H]1CCCC[C@H]1O)C1CC1
InChIInChI=1S/C12H23NO/c1-9(10-6-7-10)8-13-11-4-2-3-5-12(11)14/h9-14H,2-8H2,1H3/t9?,11-,12-/m1/s1
InChIKeyONGJIPAGUZPJIN-JZXPMDSESA-N
MW197.32 g/mol
LogP1.93
Rot. Bonds4

About trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol

trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol (PubChem CID 102731666) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
PubChem CID102731666
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol
SMILESCC(CN[C@@H]1CCCC[C@H]1O)C1CC1
InChIInChI=1S/C12H23NO/c1-9(10-6-7-10)8-13-11-4-2-3-5-12(11)14/h9-14H,2-8H2,1H3/t9?,11-,12-/m1/s1
InChIKeyONGJIPAGUZPJIN-JZXPMDSESA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-cyclopropylpropylamino)cyclopentan-1-ol
CID 102734076
trans-(1R,2R)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 102731241
2-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexan-1-ol
CID 63298849
trans-(1S,2S)-2-[(3-methyl-2-propan-2-ylbutyl)amino]cyclopentan-1-ol
CID 102905272
2-(2,2-dimethoxyethylamino)cyclohexan-1-ol
CID 63696910
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
trans-(1R,2R)-2-(2-pyrrolidin-1-ylpropylamino)cyclohexan-1-ol
CID 102731517
4-(2-cyclopropylpropylamino)cyclohexan-1-ol
CID 106595134
trans-(1S,2S)-2-(2-methylsulfanylpropylamino)cyclopentan-1-ol
CID 102734063
N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol (CID 102731666) is trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol is CC(CN[C@@H]1CCCC[C@H]1O)C1CC1.
What is the InChIKey of trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol?
The InChIKey is ONGJIPAGUZPJIN-JZXPMDSESA-N. The full InChI is InChI=1S/C12H23NO/c1-9(10-6-7-10)8-13-11-4-2-3-5-12(11)14/h9-14H,2-8H2,1H3/t9?,11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol?
trans-(1R,2R)-2-(2-cyclopropylpropylamino)cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 1.93, 4 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-cyclopropylpropylamino)cyclohexan-1-ol is sourced from PubChem (CID 102731666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).