3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol

C11H23NO2 — CID 104934399

IUPAC3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(O)C(C)NC1CCCCC1CO
InChIInChI=1S/C11H23NO2/c1-8(9(2)14)12-11-6-4-3-5-10(11)7-13/h8-14H,3-7H2,1-2H3
InChIKeySGQQBXSQDQAXBF-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.90
Rot. Bonds4

About 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol

3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol (PubChem CID 104934399) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
PubChem CID104934399
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
SMILESCC(O)C(C)NC1CCCCC1CO
InChIInChI=1S/C11H23NO2/c1-8(9(2)14)12-11-6-4-3-5-10(11)7-13/h8-14H,3-7H2,1-2H3
InChIKeySGQQBXSQDQAXBF-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-propan-2-ylpropanamide
CID 106361170
[2-(1-cyclopropylpropan-2-ylamino)cyclopentyl]methanol
CID 115723777
[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783
[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
CID 103784997
[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
CID 115722501
(2S)-2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 129435663
(2S)-2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99609371
2-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]phenol
CID 113383805
[2-(dicyclopropylmethylamino)cyclopentyl]methanol
CID 115723754

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol?
The IUPAC name of 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol (CID 104934399) is 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol.
What is the SMILES notation for 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol?
The canonical SMILES for 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol is CC(O)C(C)NC1CCCCC1CO.
What is the InChIKey of 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol?
The InChIKey is SGQQBXSQDQAXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(9(2)14)12-11-6-4-3-5-10(11)7-13/h8-14H,3-7H2,1-2H3.
What are the key properties of 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol?
3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol is sourced from PubChem (CID 104934399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).