N-(4-methoxybutyl)tetradecan-1-amine

C19H41NO — CID 145085752

IUPACN-(4-methoxybutyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCCCOC
InChIInChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21-2/h20H,3-19H2,1-2H3
InChIKeyYXBRRGIBZUEQCS-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.70
Rot. Bonds18

About N-(4-methoxybutyl)tetradecan-1-amine

N-(4-methoxybutyl)tetradecan-1-amine (PubChem CID 145085752) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is N-(4-methoxybutyl)tetradecan-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)tetradecan-1-amine
PubChem CID145085752
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC NameN-(4-methoxybutyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCCCOC
InChIInChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21-2/h20H,3-19H2,1-2H3
InChIKeyYXBRRGIBZUEQCS-UHFFFAOYSA-N
XLogP5.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-(2-methoxyethyl)hexan-1-amine
CID 177359501
N-(2-hexoxyethyl)-3-methoxypropan-1-amine
CID 62599714
1-methoxyhexacosane
CID 20780514
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
azane;1-methoxydodecane
CID 174553670
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)tetradecan-1-amine?
The IUPAC name of N-(4-methoxybutyl)tetradecan-1-amine (CID 145085752) is N-(4-methoxybutyl)tetradecan-1-amine.
What is the SMILES notation for N-(4-methoxybutyl)tetradecan-1-amine?
The canonical SMILES for N-(4-methoxybutyl)tetradecan-1-amine is CCCCCCCCCCCCCCNCCCCOC.
What is the InChIKey of N-(4-methoxybutyl)tetradecan-1-amine?
The InChIKey is YXBRRGIBZUEQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21-2/h20H,3-19H2,1-2H3.
What are the key properties of N-(4-methoxybutyl)tetradecan-1-amine?
N-(4-methoxybutyl)tetradecan-1-amine has a molecular weight of 299.54 g/mol, XLogP of 5.70, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)tetradecan-1-amine is sourced from PubChem (CID 145085752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).