(2R)-1-(nonadecan-10-ylamino)propan-2-ol

C22H47NO — CID 98515290

IUPAC(2R)-1-(nonadecan-10-ylamino)propan-2-ol
SMILESCCCCCCCCCC(CCCCCCCCC)NC[C@@H](C)O
InChIInChI=1S/C22H47NO/c1-4-6-8-10-12-14-16-18-22(23-20-21(3)24)19-17-15-13-11-9-7-5-2/h21-24H,4-20H2,1-3H3/t21-/m1/s1
InChIKeyOUAIMPXLZWTJOX-OAQYLSRUSA-N
MW341.62 g/mol
LogP6.61
Rot. Bonds19

About (2R)-1-(nonadecan-10-ylamino)propan-2-ol

(2R)-1-(nonadecan-10-ylamino)propan-2-ol (PubChem CID 98515290) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is (2R)-1-(nonadecan-10-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(nonadecan-10-ylamino)propan-2-ol
PubChem CID98515290
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name(2R)-1-(nonadecan-10-ylamino)propan-2-ol
SMILESCCCCCCCCCC(CCCCCCCCC)NC[C@@H](C)O
InChIInChI=1S/C22H47NO/c1-4-6-8-10-12-14-16-18-22(23-20-21(3)24)19-17-15-13-11-9-7-5-2/h21-24H,4-20H2,1-3H3/t21-/m1/s1
InChIKeyOUAIMPXLZWTJOX-OAQYLSRUSA-N
XLogP6.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxypropylamino)octan-1-ol
CID 86053994
1-(octan-4-ylamino)propan-2-ol
CID 103775311
4-(undecan-6-ylamino)butan-2-ol
CID 64927734
N-(2,3-dimethylbutyl)undecan-6-amine
CID 64569450
N-ethyltetradecan-7-amine
CID 87847195
heptane;heptan-2-ol
CID 157400640
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(2S)-octadecan-2-ol
CID 25022019
henicosan-2-ol
CID 14151023
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(nonadecan-10-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(nonadecan-10-ylamino)propan-2-ol (CID 98515290) is (2R)-1-(nonadecan-10-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(nonadecan-10-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(nonadecan-10-ylamino)propan-2-ol is CCCCCCCCCC(CCCCCCCCC)NC[C@@H](C)O.
What is the InChIKey of (2R)-1-(nonadecan-10-ylamino)propan-2-ol?
The InChIKey is OUAIMPXLZWTJOX-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H47NO/c1-4-6-8-10-12-14-16-18-22(23-20-21(3)24)19-17-15-13-11-9-7-5-2/h21-24H,4-20H2,1-3H3/t21-/m1/s1.
What are the key properties of (2R)-1-(nonadecan-10-ylamino)propan-2-ol?
(2R)-1-(nonadecan-10-ylamino)propan-2-ol has a molecular weight of 341.62 g/mol, XLogP of 6.61, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(nonadecan-10-ylamino)propan-2-ol is sourced from PubChem (CID 98515290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).