1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

C15H29NO2 — CID 106188526

IUPAC1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC(C)=CCNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H29NO2/c1-12(2)7-8-16-10-14(17)11-18-15-6-4-5-13(3)9-15/h7,13-17H,4-6,8-11H2,1-3H3
InChIKeyWREJJTLBFHQPIJ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.50
Rot. Bonds7

About 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 106188526) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID106188526
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC(C)=CCNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H29NO2/c1-12(2)7-8-16-10-14(17)11-18-15-6-4-5-13(3)9-15/h7,13-17H,4-6,8-11H2,1-3H3
InChIKeyWREJJTLBFHQPIJ-UHFFFAOYSA-N
XLogP2.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638
1-(2-bicyclo[2.2.1]heptanylmethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63682308
1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669620

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 106188526) is 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is CC(C)=CCNCC(O)COC1CCCC(C)C1.
What is the InChIKey of 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is WREJJTLBFHQPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)7-8-16-10-14(17)11-18-15-6-4-5-13(3)9-15/h7,13-17H,4-6,8-11H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 106188526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).