N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine

C18H37NO — CID 158488239

IUPACN-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(C)CC1CO1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(2)16-18-17-20-18/h18H,3-17H2,1-2H3
InChIKeyHIJGPQSIBKOTDQ-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.02
Rot. Bonds15

About N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine

N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine (PubChem CID 158488239) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine
PubChem CID158488239
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC NameN-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(C)CC1CO1
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(2)16-18-17-20-18/h18H,3-17H2,1-2H3
InChIKeyHIJGPQSIBKOTDQ-UHFFFAOYSA-N
XLogP5.02
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tridemorph
CID 32518
2,6-Dimethyl-4-dodecylmorpholine
CID 3014032
Morpholine, 2,6-dimethyl-4-tridecyl-, cis-
CID 185834
Distearyl epoxypropylmonium chloride
CID 57483147
1-Hexadecanaminium, N-(2-methoxyethyl)-N,N-dimethyl-, bromide (1:1)
CID 44399058
2,6-Dimethyl-4-tetradecylmorpholine
CID 14993215
hexadecyl-[(2S,3S)-4-[hexadecyl(dimethyl)azaniumyl]-2,3-dimethoxybutyl]-dimethylazanium
CID 44398901
hexadecyl-[(2S,3R)-4-[hexadecyl(dimethyl)azaniumyl]-2,3-dimethoxybutyl]-dimethylazanium
CID 44398905
Oxiranemethanaminium, N,N-dimethyl-N-octadecyl-, chloride
CID 11567287
Dimethyl-octyl-(oxiran-2-ylmethyl)azanium
CID 19839328
N,N-dimethyl-N-octadecyl-N-(1,2-epoxypropyl) ammonium chloride
CID 19885700
N,N-dimethyl-N-dodecyl-N-(1,2-epoxypropyl) ammonium chloride
CID 87258353

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine?
The IUPAC name of N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine (CID 158488239) is N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine.
What is the SMILES notation for N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine?
The canonical SMILES for N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine is CCCCCCCCCCCCCCN(C)CC1CO1.
What is the InChIKey of N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine?
The InChIKey is HIJGPQSIBKOTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(2)16-18-17-20-18/h18H,3-17H2,1-2H3.
What are the key properties of N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine?
N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 5.02, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine is sourced from PubChem (CID 158488239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).