(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol

C15H29NO — CID 113349396

IUPAC(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCCCC1C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(17)11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h12-17H,2-11H2,1H3/t12-,14?,15?/m1/s1
InChIKeyBDAFZVJVOJXLIF-LRVUVFPRSA-N
MW239.40 g/mol
LogP3.10
Rot. Bonds4

About (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol

(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol (PubChem CID 113349396) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
PubChem CID113349396
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1CCCCC1C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(17)11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h12-17H,2-11H2,1H3/t12-,14?,15?/m1/s1
InChIKeyBDAFZVJVOJXLIF-LRVUVFPRSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide
CID 43223719
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106180008
2-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
(2R)-1-[(2-methoxycyclopentyl)amino]propan-2-ol
CID 106932046
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol (CID 113349396) is (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol is C[C@@H](O)CNC1CCCCC1C1CCCCC1.
What is the InChIKey of (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol?
The InChIKey is BDAFZVJVOJXLIF-LRVUVFPRSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(17)11-16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h12-17H,2-11H2,1H3/t12-,14?,15?/m1/s1.
What are the key properties of (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol?
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 113349396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).