3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol

C16H33NO3 — CID 104891895

IUPAC3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
SMILESCC1CCCC(OCC(O)CNC(CCO)C(C)C)C1
InChIInChI=1S/C16H33NO3/c1-12(2)16(7-8-18)17-10-14(19)11-20-15-6-4-5-13(3)9-15/h12-19H,4-11H2,1-3H3
InChIKeyGAMSCYXHRGCMRV-UHFFFAOYSA-N
MW287.44 g/mol
LogP1.94
Rot. Bonds9

About 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol (PubChem CID 104891895) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
PubChem CID104891895
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
SMILESCC1CCCC(OCC(O)CNC(CCO)C(C)C)C1
InChIInChI=1S/C16H33NO3/c1-12(2)16(7-8-18)17-10-14(19)11-20-15-6-4-5-13(3)9-15/h12-19H,4-11H2,1-3H3
InChIKeyGAMSCYXHRGCMRV-UHFFFAOYSA-N
XLogP1.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938859
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(4-methylcyclohexyl)oxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469442
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]butan-1-ol
CID 83178126

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol (CID 104891895) is 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol is CC1CCCC(OCC(O)CNC(CCO)C(C)C)C1.
What is the InChIKey of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol?
The InChIKey is GAMSCYXHRGCMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-12(2)16(7-8-18)17-10-14(19)11-20-15-6-4-5-13(3)9-15/h12-19H,4-11H2,1-3H3.
What are the key properties of 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol?
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 104891895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).