N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride

C19H40ClNO — CID 174335723

IUPACN-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCN(CC)CC1CO1.Cl
InChIInChI=1S/C19H39NO.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(4-2)17-19-18-21-19;/h19H,3-18H2,1-2H3;1H
InChIKeyKYRPEJLNQOTOCL-UHFFFAOYSA-N
MW333.99 g/mol
LogP5.83
Rot. Bonds16

About N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride

N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride (PubChem CID 174335723) has the molecular formula C19H40ClNO and a molecular weight of 333.99 g/mol. Its IUPAC name is N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
PubChem CID174335723
Molecular FormulaC19H40ClNO
Molecular Weight333.99 g/mol
Exact Mass333.28
IUPAC NameN-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCN(CC)CC1CO1.Cl
InChIInChI=1S/C19H39NO.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(4-2)17-19-18-21-19;/h19H,3-18H2,1-2H3;1H
InChIKeyKYRPEJLNQOTOCL-UHFFFAOYSA-N
XLogP5.83
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.99
LogP ≤ 55.83
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

Distearyl epoxypropylmonium chloride
CID 57483147
Oxiranemethanaminium, N,N,N-tributyl-, chloride
CID 179586
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
Glycidyl hexadecyl dimethylammonium chloride
CID 88225905
Glycidyl dodecyldimethyl-ammonium bromide
CID 129726115
Hexadecyl-(2-methoxyethyl)-dimethylazanium
CID 44399059
2-Methoxyethylamine, N,N-didecyl-
CID 6426280
N-octyl-N-(oxiran-2-ylmethyl)octan-1-amine
CID 20555417
N-dodecyl-N-(oxiran-2-ylmethyl)dodecan-1-amine
CID 88678513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride?
The IUPAC name of N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride (CID 174335723) is N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride.
What is the SMILES notation for N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride?
The canonical SMILES for N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride is CCCCCCCCCCCCCCN(CC)CC1CO1.Cl.
What is the InChIKey of N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride?
The InChIKey is KYRPEJLNQOTOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20(4-2)17-19-18-21-19;/h19H,3-18H2,1-2H3;1H.
What are the key properties of N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride?
N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride has a molecular weight of 333.99 g/mol, XLogP of 5.83, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine;hydrochloride is sourced from PubChem (CID 174335723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).