4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol

C10H21NO2 — CID 106595214

IUPAC4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
SMILESCC[C@H](CO)NC1CCC(O)CC1
InChIInChI=1S/C10H21NO2/c1-2-8(7-12)11-9-3-5-10(13)6-4-9/h8-13H,2-7H2,1H3/t8-,9?,10?/m1/s1
InChIKeyMHVASXMZXPJQGR-XNWIYYODSA-N
MW187.28 g/mol
LogP0.65
Rot. Bonds4

About 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol

4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol (PubChem CID 106595214) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
PubChem CID106595214
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
SMILESCC[C@H](CO)NC1CCC(O)CC1
InChIInChI=1S/C10H21NO2/c1-2-8(7-12)11-9-3-5-10(13)6-4-9/h8-13H,2-7H2,1H3/t8-,9?,10?/m1/s1
InChIKeyMHVASXMZXPJQGR-XNWIYYODSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
3-(cyclopropylamino)pentan-1-ol
CID 83815190
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
4-(3-methylpentan-2-ylamino)cyclohexan-1-ol
CID 43201193
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79724018
(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
(2S)-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 104980875

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol (CID 106595214) is 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol is CC[C@H](CO)NC1CCC(O)CC1.
What is the InChIKey of 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol?
The InChIKey is MHVASXMZXPJQGR-XNWIYYODSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-8(7-12)11-9-3-5-10(13)6-4-9/h8-13H,2-7H2,1H3/t8-,9?,10?/m1/s1.
What are the key properties of 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol?
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 106595214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).