1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol

C14H27NO2 — CID 3067065

IUPAC1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COCC1CC=CCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)15-9-13(16)11-17-10-12-7-5-4-6-8-12/h4-5,12-13,15-16H,6-11H2,1-3H3
InChIKeyIKDRZBWDKODTED-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.11
Rot. Bonds6

About 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol

1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol (PubChem CID 3067065) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
PubChem CID3067065
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
SMILESCC(C)(C)NCC(O)COCC1CC=CCC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)15-9-13(16)11-17-10-12-7-5-4-6-8-12/h4-5,12-13,15-16H,6-11H2,1-3H3
InChIKeyIKDRZBWDKODTED-UHFFFAOYSA-N
XLogP2.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.11
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
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
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

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol (CID 3067065) is 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol is CC(C)(C)NCC(O)COCC1CC=CCC1.
What is the InChIKey of 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol?
The InChIKey is IKDRZBWDKODTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)15-9-13(16)11-17-10-12-7-5-4-6-8-12/h4-5,12-13,15-16H,6-11H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol?
1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol has a molecular weight of 241.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol is sourced from PubChem (CID 3067065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).