1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol

C16H33NO2 — CID 107262975

IUPAC1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
SMILESCCCCOCC(O)CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C16H33NO2/c1-3-4-11-19-13-16(18)12-17-14(2)15-9-7-5-6-8-10-15/h14-18H,3-13H2,1-2H3/t14-,16?/m1/s1
InChIKeyWTYSSUBNIRPIFS-IURRXHLWSA-N
MW271.44 g/mol
LogP3.11
Rot. Bonds9

About 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol

1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol (PubChem CID 107262975) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
PubChem CID107262975
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
SMILESCCCCOCC(O)CN[C@H](C)C1CCCCCC1
InChIInChI=1S/C16H33NO2/c1-3-4-11-19-13-16(18)12-17-14(2)15-9-7-5-6-8-10-15/h14-18H,3-13H2,1-2H3/t14-,16?/m1/s1
InChIKeyWTYSSUBNIRPIFS-IURRXHLWSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.11
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

1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-(2-butoxyethoxy)-3-(cyclohexylamino)propan-2-ol
CID 60633253
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270
1-(cyclooctylamino)-3-hexoxypropan-2-ol
CID 60635229
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol (CID 107262975) is 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol is CCCCOCC(O)CN[C@H](C)C1CCCCCC1.
What is the InChIKey of 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol?
The InChIKey is WTYSSUBNIRPIFS-IURRXHLWSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-4-11-19-13-16(18)12-17-14(2)15-9-7-5-6-8-10-15/h14-18H,3-13H2,1-2H3/t14-,16?/m1/s1.
What are the key properties of 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol?
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol is sourced from PubChem (CID 107262975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).