5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol

C16H31NO3 — CID 107317550

IUPAC5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
SMILESCC1CC=CCC1COCC(O)CNCCCCCO
InChIInChI=1S/C16H31NO3/c1-14-7-3-4-8-15(14)12-20-13-16(19)11-17-9-5-2-6-10-18/h3-4,14-19H,2,5-13H2,1H3
InChIKeyUFOYAIVDRFPTCX-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.72
Rot. Bonds11

About 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol

5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol (PubChem CID 107317550) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
PubChem CID107317550
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
SMILESCC1CC=CCC1COCC(O)CNCCCCCO
InChIInChI=1S/C16H31NO3/c1-14-7-3-4-8-15(14)12-20-13-16(19)11-17-9-5-2-6-10-18/h3-4,14-19H,2,5-13H2,1H3
InChIKeyUFOYAIVDRFPTCX-UHFFFAOYSA-N
XLogP1.72
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633863
1-(2-hydroxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60634582
1-[2-(diethylamino)ethylamino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633118
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(propan-2-ylamino)propan-2-ol
CID 60903069
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-prop-2-ynylsulfanylethylamino)propan-2-ol
CID 106428886
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63964083
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61038865
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pentan-3-ylamino)propan-2-ol
CID 60635153
2-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]butan-1-ol
CID 60634051
1-[(2,2-dimethylcyclopropyl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 61221366
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 112726289
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol (CID 107317550) is 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol is CC1CC=CCC1COCC(O)CNCCCCCO.
What is the InChIKey of 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol?
The InChIKey is UFOYAIVDRFPTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-14-7-3-4-8-15(14)12-20-13-16(19)11-17-9-5-2-6-10-18/h3-4,14-19H,2,5-13H2,1H3.
What are the key properties of 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol?
5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 1.72, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol is sourced from PubChem (CID 107317550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).