N,N-dihydroxyoctadecan-2-amine

C18H39NO2 — CID 19777704

IUPACN,N-dihydroxyoctadecan-2-amine
SMILESCCCCCCCCCCCCCCCCC(C)N(O)O
InChIInChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18,20-21H,3-17H2,1-2H3
InChIKeyUBFMBKMVNANZDF-UHFFFAOYSA-N
MW301.51 g/mol
LogP6.33
Rot. Bonds16

About N,N-dihydroxyoctadecan-2-amine

N,N-dihydroxyoctadecan-2-amine (PubChem CID 19777704) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is N,N-dihydroxyoctadecan-2-amine.

Molecular Properties

Compound NameN,N-dihydroxyoctadecan-2-amine
PubChem CID19777704
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC NameN,N-dihydroxyoctadecan-2-amine
SMILESCCCCCCCCCCCCCCCCC(C)N(O)O
InChIInChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18,20-21H,3-17H2,1-2H3
InChIKeyUBFMBKMVNANZDF-UHFFFAOYSA-N
XLogP6.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.51
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(tridecan-2-yl)tridecan-2-amine
CID 87098451
N,N-di(nonadecan-2-yl)nonadecan-2-amine
CID 19594136
N,N-di(decan-2-yl)decan-2-amine;hydrobromide
CID 173437126
N,N-dihydroxydecan-5-amine
CID 88629686
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684
heptane;heptan-2-ol
CID 157400640
octan-2-ol
CID 20083
docosan-2-ol
CID 14151025
2-iodooctadecane
CID 138596673
(2S)-octadecan-2-ol
CID 25022019
henicosan-2-ol
CID 14151023
N,N-dihydroxynonan-4-amine
CID 139703467

Frequently Asked Questions

What is the IUPAC name of N,N-dihydroxyoctadecan-2-amine?
The IUPAC name of N,N-dihydroxyoctadecan-2-amine (CID 19777704) is N,N-dihydroxyoctadecan-2-amine.
What is the SMILES notation for N,N-dihydroxyoctadecan-2-amine?
The canonical SMILES for N,N-dihydroxyoctadecan-2-amine is CCCCCCCCCCCCCCCCC(C)N(O)O.
What is the InChIKey of N,N-dihydroxyoctadecan-2-amine?
The InChIKey is UBFMBKMVNANZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18,20-21H,3-17H2,1-2H3.
What are the key properties of N,N-dihydroxyoctadecan-2-amine?
N,N-dihydroxyoctadecan-2-amine has a molecular weight of 301.51 g/mol, XLogP of 6.33, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxyoctadecan-2-amine is sourced from PubChem (CID 19777704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).