4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol

C14H29NO3 — CID 114147912

IUPAC4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
SMILESCC(C)COCC(O)CNCC1CCC(O)CC1
InChIInChI=1S/C14H29NO3/c1-11(2)9-18-10-14(17)8-15-7-12-3-5-13(16)6-4-12/h11-17H,3-10H2,1-2H3
InChIKeyCTTYNZKOCJHPSZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.16
Rot. Bonds8

About 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol

4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol (PubChem CID 114147912) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
PubChem CID114147912
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol
SMILESCC(C)COCC(O)CNCC1CCC(O)CC1
InChIInChI=1S/C14H29NO3/c1-11(2)9-18-10-14(17)8-15-7-12-3-5-13(16)6-4-12/h11-17H,3-10H2,1-2H3
InChIKeyCTTYNZKOCJHPSZ-UHFFFAOYSA-N
XLogP1.16
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-3-[(4-ethylcyclohexyl)methylamino]propan-2-ol
CID 63931930
1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132935
1-[(1-cyclopropylcyclopropyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 114095925
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
4-[(2-methoxypropylamino)methyl]cyclohexan-1-ol
CID 106133687
1-[(3-methyl-2-propan-2-ylbutyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 102905545
4-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cyclohexan-1-ol
CID 106133162
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
1-(cyclooctylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60635542
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
3-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cyclobutan-1-ol
CID 66005279

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol (CID 114147912) is 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol is CC(C)COCC(O)CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is CTTYNZKOCJHPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11(2)9-18-10-14(17)8-15-7-12-3-5-13(16)6-4-12/h11-17H,3-10H2,1-2H3.
What are the key properties of 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol?
4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114147912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).