1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C16H35NO2 — CID 103600467

IUPAC1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)CCCCCCNCC(O)COC(C)(C)C
InChIInChI=1S/C16H35NO2/c1-14(2)10-8-6-7-9-11-17-12-15(18)13-19-16(3,4)5/h14-15,17-18H,6-13H2,1-5H3
InChIKeySCQLNTGUDKAPFH-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.36
Rot. Bonds11

About 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 103600467) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID103600467
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)CCCCCCNCC(O)COC(C)(C)C
InChIInChI=1S/C16H35NO2/c1-14(2)10-8-6-7-9-11-17-12-15(18)13-19-16(3,4)5/h14-15,17-18H,6-13H2,1-5H3
InChIKeySCQLNTGUDKAPFH-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]pentan-1-ol
CID 107317289
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-amino-3-(5-methylhexylamino)propan-2-ol
CID 176836498
1-ethoxy-3-(4-methylpentylamino)propan-2-ol
CID 63933585
1-[(2-methylpropan-2-yl)oxy]-3-(2-methylpropoxyamino)propan-2-ol
CID 82714833
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
1-(4-methylpentoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115518703
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 103600467) is 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)CCCCCCNCC(O)COC(C)(C)C.
What is the InChIKey of 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is SCQLNTGUDKAPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-14(2)10-8-6-7-9-11-17-12-15(18)13-19-16(3,4)5/h14-15,17-18H,6-13H2,1-5H3.
What are the key properties of 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 273.46 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 103600467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).