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

C17H33NO2 — CID 61469552

IUPAC1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(NCC(O)COCC1CC=CCC1C)C(C)C
InChIInChI=1S/C17H33NO2/c1-5-17(13(2)3)18-10-16(19)12-20-11-15-9-7-6-8-14(15)4/h6-7,13-19H,5,8-12H2,1-4H3
InChIKeyKVYLFJPWLAYNCK-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.99
Rot. Bonds9

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

1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol (PubChem CID 61469552) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
PubChem CID61469552
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(NCC(O)COCC1CC=CCC1C)C(C)C
InChIInChI=1S/C17H33NO2/c1-5-17(13(2)3)18-10-16(19)12-20-11-15-9-7-6-8-14(15)4/h6-7,13-19H,5,8-12H2,1-4H3
InChIKeyKVYLFJPWLAYNCK-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propanol, 1-((3,7-dimethyl-6-octenyl)oxy)-3-((1-methylethyl)amino)-
CID 3067039
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632550
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226772
1,1,1-Trifluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-2-ol
CID 105645045
1,1-Difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-2-ol
CID 105645802
1-[2-(2,2-Difluoroethoxy)ethylamino]-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 105910852
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935783
2,2-Difluoro-3-[[2-hydroxy-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]amino]propan-1-ol
CID 106176951
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-[[1-(trifluoromethyl)cyclopropyl]amino]propan-2-ol
CID 106212592
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106292105
1-(2,2-Difluoroethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 115406645
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518565

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
The IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol (CID 61469552) is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol is CCC(NCC(O)COCC1CC=CCC1C)C(C)C.
What is the InChIKey of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
The InChIKey is KVYLFJPWLAYNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-17(13(2)3)18-10-16(19)12-20-11-15-9-7-6-8-14(15)4/h6-7,13-19H,5,8-12H2,1-4H3.
What are the key properties of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol?
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 2.99, 9 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-(2-methylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 61469552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).