1-(3-hydroxypropylamino)decan-1-ol

C13H29NO2 — CID 57171427

IUPAC1-(3-hydroxypropylamino)decan-1-ol
SMILESCCCCCCCCCC(O)NCCCO
InChIInChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-10-13(16)14-11-9-12-15/h13-16H,2-12H2,1H3
InChIKeyAMAPKKGAORPJPI-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.42
Rot. Bonds12

About 1-(3-hydroxypropylamino)decan-1-ol

1-(3-hydroxypropylamino)decan-1-ol (PubChem CID 57171427) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3-hydroxypropylamino)decan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxypropylamino)decan-1-ol
PubChem CID57171427
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-(3-hydroxypropylamino)decan-1-ol
SMILESCCCCCCCCCC(O)NCCCO
InChIInChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-10-13(16)14-11-9-12-15/h13-16H,2-12H2,1H3
InChIKeyAMAPKKGAORPJPI-UHFFFAOYSA-N
XLogP2.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.42
H-Bond Donors ≤ 53
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

1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropylamino)decan-1-ol?
The IUPAC name of 1-(3-hydroxypropylamino)decan-1-ol (CID 57171427) is 1-(3-hydroxypropylamino)decan-1-ol.
What is the SMILES notation for 1-(3-hydroxypropylamino)decan-1-ol?
The canonical SMILES for 1-(3-hydroxypropylamino)decan-1-ol is CCCCCCCCCC(O)NCCCO.
What is the InChIKey of 1-(3-hydroxypropylamino)decan-1-ol?
The InChIKey is AMAPKKGAORPJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-2-3-4-5-6-7-8-10-13(16)14-11-9-12-15/h13-16H,2-12H2,1H3.
What are the key properties of 1-(3-hydroxypropylamino)decan-1-ol?
1-(3-hydroxypropylamino)decan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.42, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropylamino)decan-1-ol is sourced from PubChem (CID 57171427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).