1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol

C15H29NO3 — CID 60633863

IUPAC1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
SMILESCOCCCNCC(O)COCC1CC=CCC1C
InChIInChI=1S/C15H29NO3/c1-13-6-3-4-7-14(13)11-19-12-15(17)10-16-8-5-9-18-2/h3-4,13-17H,5-12H2,1-2H3
InChIKeyJVAUCCHILWIMRC-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.59
Rot. Bonds10

About 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol

1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol (PubChem CID 60633863) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
PubChem CID60633863
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
SMILESCOCCCNCC(O)COCC1CC=CCC1C
InChIInChI=1S/C15H29NO3/c1-13-6-3-4-7-14(13)11-19-12-15(17)10-16-8-5-9-18-2/h3-4,13-17H,5-12H2,1-2H3
InChIKeyJVAUCCHILWIMRC-UHFFFAOYSA-N
XLogP1.59
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
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

5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
CID 107317550
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
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
2-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]butan-1-ol
CID 60634051
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The IUPAC name of 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol (CID 60633863) is 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol is COCCCNCC(O)COCC1CC=CCC1C.
What is the InChIKey of 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The InChIKey is JVAUCCHILWIMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-13-6-3-4-7-14(13)11-19-12-15(17)10-16-8-5-9-18-2/h3-4,13-17H,5-12H2,1-2H3.
What are the key properties of 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol is sourced from PubChem (CID 60633863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).