N-icosan-3-yl-N-methylhydroxylamine

C21H45NO — CID 90035828

IUPACN-icosan-3-yl-N-methylhydroxylamine
SMILESCCCCCCCCCCCCCCCCCC(CC)N(C)O
InChIInChI=1S/C21H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)22(3)23/h21,23H,4-20H2,1-3H3
InChIKeyXPRVSZLWVWAVTI-UHFFFAOYSA-N
MW327.60 g/mol
LogP7.35
Rot. Bonds18

About N-icosan-3-yl-N-methylhydroxylamine

N-icosan-3-yl-N-methylhydroxylamine (PubChem CID 90035828) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is N-icosan-3-yl-N-methylhydroxylamine.

Molecular Properties

Compound NameN-icosan-3-yl-N-methylhydroxylamine
PubChem CID90035828
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC NameN-icosan-3-yl-N-methylhydroxylamine
SMILESCCCCCCCCCCCCCCCCCC(CC)N(C)O
InChIInChI=1S/C21H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)22(3)23/h21,23H,4-20H2,1-3H3
InChIKeyXPRVSZLWVWAVTI-UHFFFAOYSA-N
XLogP7.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-octadecan-3-ylhydroxylamine
CID 90035792
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dihydroxydecan-5-amine
CID 88629686
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
N-chloro-N-methylhenicosan-11-amine
CID 141096758
N,N-dihydroxynonan-4-amine
CID 139703467
N,N-dimethylhenicosan-3-amine;2-hydroxypropanoic acid
CID 174779715
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of N-icosan-3-yl-N-methylhydroxylamine?
The IUPAC name of N-icosan-3-yl-N-methylhydroxylamine (CID 90035828) is N-icosan-3-yl-N-methylhydroxylamine.
What is the SMILES notation for N-icosan-3-yl-N-methylhydroxylamine?
The canonical SMILES for N-icosan-3-yl-N-methylhydroxylamine is CCCCCCCCCCCCCCCCCC(CC)N(C)O.
What is the InChIKey of N-icosan-3-yl-N-methylhydroxylamine?
The InChIKey is XPRVSZLWVWAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(5-2)22(3)23/h21,23H,4-20H2,1-3H3.
What are the key properties of N-icosan-3-yl-N-methylhydroxylamine?
N-icosan-3-yl-N-methylhydroxylamine has a molecular weight of 327.60 g/mol, XLogP of 7.35, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-icosan-3-yl-N-methylhydroxylamine is sourced from PubChem (CID 90035828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).