1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol

C16H33NO3 — CID 81393423

IUPAC1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C16H33NO3/c1-3-19-10-11-20-13-16(18)12-17-14(2)15-8-6-4-5-7-9-15/h14-18H,3-13H2,1-2H3/t14-,16?/m0/s1
InChIKeyMCMMXIIFAXVBCJ-LBAUFKAWSA-N
MW287.44 g/mol
LogP2.35
Rot. Bonds10

About 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol

1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 81393423) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID81393423
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C16H33NO3/c1-3-19-10-11-20-13-16(18)12-17-14(2)15-8-6-4-5-7-9-15/h14-18H,3-13H2,1-2H3/t14-,16?/m0/s1
InChIKeyMCMMXIIFAXVBCJ-LBAUFKAWSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
1-[[(1R)-1-cyclohexylethyl]amino]-3-propan-2-yloxypropan-2-ol
CID 81385135
1-[[(1S)-1-cycloheptylethyl]amino]-3-cyclopentyloxypropan-2-ol
CID 81391866
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
1-(1-cyclopentylethylamino)pentan-2-ol
CID 115719405
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1-[[(1R)-1-cyclopentylethyl]amino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 81396507

Frequently Asked Questions

What is the IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol (CID 81393423) is 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CN[C@@H](C)C1CCCCCC1.
What is the InChIKey of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is MCMMXIIFAXVBCJ-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-19-10-11-20-13-16(18)12-17-14(2)15-8-6-4-5-7-9-15/h14-18H,3-13H2,1-2H3/t14-,16?/m0/s1.
What are the key properties of 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 287.44 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 81393423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).