1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol

C15H29NO — CID 81385046

IUPAC1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
SMILESC[C@@H](NCC1(O)CCCCC1)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-13(14-8-4-2-5-9-14)16-12-15(17)10-6-3-7-11-15/h13-14,16-17H,2-12H2,1H3/t13-/m1/s1
InChIKeyREWIWYPAUUFYNJ-CYBMUJFWSA-N
MW239.40 g/mol
LogP3.24
Rot. Bonds4

About 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol

1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol (PubChem CID 81385046) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
PubChem CID81385046
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
SMILESC[C@@H](NCC1(O)CCCCC1)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-13(14-8-4-2-5-9-14)16-12-15(17)10-6-3-7-11-15/h13-14,16-17H,2-12H2,1H3/t13-/m1/s1
InChIKeyREWIWYPAUUFYNJ-CYBMUJFWSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
CID 63490367
1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
CID 62406299
3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
CID 115726349
1-[[1-(1-ethylpiperidin-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65105376
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
4-propan-2-yl-1-[(propan-2-ylamino)methyl]cycloheptan-1-ol
CID 65090686
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
1-cyclohexyl-N-[(1-ethylcyclopropyl)methyl]ethanamine;hydrochloride
CID 115683925
2-[1-[(1-cyclopentylethylamino)methyl]cyclobutyl]ethanol
CID 115894754

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol (CID 81385046) is 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol is C[C@@H](NCC1(O)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is REWIWYPAUUFYNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(14-8-4-2-5-9-14)16-12-15(17)10-6-3-7-11-15/h13-14,16-17H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol?
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 81385046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).