1-(2-hexadecoxypropan-2-ylamino)propan-1-ol

C22H47NO2 — CID 87259016

IUPAC1-(2-hexadecoxypropan-2-ylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCOC(C)(C)NC(O)CC
InChIInChI=1S/C22H47NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(3,4)23-21(24)6-2/h21,23-24H,5-20H2,1-4H3
InChIKeyWMNZAXPBIUWNQC-UHFFFAOYSA-N
MW357.62 g/mol
LogP6.54
Rot. Bonds19

About 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol

1-(2-hexadecoxypropan-2-ylamino)propan-1-ol (PubChem CID 87259016) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2-hexadecoxypropan-2-ylamino)propan-1-ol
PubChem CID87259016
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Name1-(2-hexadecoxypropan-2-ylamino)propan-1-ol
SMILESCCCCCCCCCCCCCCCCOC(C)(C)NC(O)CC
InChIInChI=1S/C22H47NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(3,4)23-21(24)6-2/h21,23-24H,5-20H2,1-4H3
InChIKeyWMNZAXPBIUWNQC-UHFFFAOYSA-N
XLogP6.54
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;2-dodecoxypropan-2-ol
CID 87960511
2-dodecoxy-2-methyltetradecane
CID 158074564
1-(2,3-dimethylbutan-2-yloxy)decane
CID 172756117
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
1-(hexylamino)propan-1-ol
CID 57070645
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
2-hexoxypropane-1,2-diol
CID 87299743
1,1-didodecoxypropane-1,2,3-triol
CID 139979084
1,1-di(undecoxy)propane-1,2,3-triol
CID 139663662
3-dodecoxy-1-(hydroxyamino)-3-(2-hydroxyethyl)pentane-1,5-diol
CID 172752148
1,1-di(tetradecoxy)propyl-(1-hydroxy-2-methylpropyl)azanium bromide
CID 141165960
1-undecoxypropan-1-ol
CID 139971923

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol (CID 87259016) is 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol is CCCCCCCCCCCCCCCCOC(C)(C)NC(O)CC.
What is the InChIKey of 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol?
The InChIKey is WMNZAXPBIUWNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-22(3,4)23-21(24)6-2/h21,23-24H,5-20H2,1-4H3.
What are the key properties of 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol?
1-(2-hexadecoxypropan-2-ylamino)propan-1-ol has a molecular weight of 357.62 g/mol, XLogP of 6.54, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexadecoxypropan-2-ylamino)propan-1-ol is sourced from PubChem (CID 87259016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).