N-methyl-N-octadecan-3-ylhydroxylamine

C19H41NO — CID 90035792

IUPACN-methyl-N-octadecan-3-ylhydroxylamine
SMILESCCCCCCCCCCCCCCCC(CC)N(C)O
InChIInChI=1S/C19H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(5-2)20(3)21/h19,21H,4-18H2,1-3H3
InChIKeyNKJROWVFFOOJRU-UHFFFAOYSA-N
MW299.54 g/mol
LogP6.57
Rot. Bonds16

About N-methyl-N-octadecan-3-ylhydroxylamine

N-methyl-N-octadecan-3-ylhydroxylamine (PubChem CID 90035792) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is N-methyl-N-octadecan-3-ylhydroxylamine.

Molecular Properties

Compound NameN-methyl-N-octadecan-3-ylhydroxylamine
PubChem CID90035792
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC NameN-methyl-N-octadecan-3-ylhydroxylamine
SMILESCCCCCCCCCCCCCCCC(CC)N(C)O
InChIInChI=1S/C19H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(5-2)20(3)21/h19,21H,4-18H2,1-3H3
InChIKeyNKJROWVFFOOJRU-UHFFFAOYSA-N
XLogP6.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 56.57
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-icosan-3-yl-N-methylhydroxylamine
CID 90035828
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dihydroxydecan-5-amine
CID 88629686
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-methyl-N-octadecan-3-ylhydroxylamine?
The IUPAC name of N-methyl-N-octadecan-3-ylhydroxylamine (CID 90035792) is N-methyl-N-octadecan-3-ylhydroxylamine.
What is the SMILES notation for N-methyl-N-octadecan-3-ylhydroxylamine?
The canonical SMILES for N-methyl-N-octadecan-3-ylhydroxylamine is CCCCCCCCCCCCCCCC(CC)N(C)O.
What is the InChIKey of N-methyl-N-octadecan-3-ylhydroxylamine?
The InChIKey is NKJROWVFFOOJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19(5-2)20(3)21/h19,21H,4-18H2,1-3H3.
What are the key properties of N-methyl-N-octadecan-3-ylhydroxylamine?
N-methyl-N-octadecan-3-ylhydroxylamine has a molecular weight of 299.54 g/mol, XLogP of 6.57, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octadecan-3-ylhydroxylamine is sourced from PubChem (CID 90035792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).