1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol

C16H27NO2 — CID 106229613

IUPAC1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol
SMILESC#CC(CC)NCC(O)COCC1CC=CCC1C
InChIInChI=1S/C16H27NO2/c1-4-15(5-2)17-10-16(18)12-19-11-14-9-7-6-8-13(14)3/h1,6-7,13-18H,5,8-12H2,2-3H3
InChIKeyOUFLELHNZVCMND-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.97
Rot. Bonds8

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

1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol (PubChem CID 106229613) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol
PubChem CID106229613
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol
SMILESC#CC(CC)NCC(O)COCC1CC=CCC1C
InChIInChI=1S/C16H27NO2/c1-4-15(5-2)17-10-16(18)12-19-11-14-9-7-6-8-13(14)3/h1,6-7,13-18H,5,8-12H2,2-3H3
InChIKeyOUFLELHNZVCMND-UHFFFAOYSA-N
XLogP1.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(propan-2-ylamino)propan-2-ol
CID 60903069
1-(2-hydroxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60634582
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-prop-2-ynylsulfanylethylamino)propan-2-ol
CID 106428886
1-[(2,2-dimethylcyclopropyl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 61221366
1-[2-(diethylamino)ethylamino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633118
1-(pent-1-yn-3-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 114161170
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63964083
5-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]pentan-1-ol
CID 107317550
1-(3-methoxypropylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633863
1-[(1,1-dioxothiolan-3-yl)amino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 60633933

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol?
The IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol (CID 106229613) is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol?
The canonical SMILES for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol is C#CC(CC)NCC(O)COCC1CC=CCC1C.
What is the InChIKey of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol?
The InChIKey is OUFLELHNZVCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-15(5-2)17-10-16(18)12-19-11-14-9-7-6-8-13(14)3/h1,6-7,13-18H,5,8-12H2,2-3H3.
What are the key properties of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol?
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(pent-1-yn-3-ylamino)propan-2-ol is sourced from PubChem (CID 106229613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).