N-ethyl-N-methyloctadecan-1-amine;hydrochloride

C21H46ClN — CID 174373981

IUPACN-ethyl-N-methyloctadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(C)CC.Cl
InChIInChI=1S/C21H45N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2;/h4-21H2,1-3H3;1H
InChIKeyGMHOBBMCBIWTKO-UHFFFAOYSA-N
MW348.06 g/mol
LogP7.62
Rot. Bonds18

About N-ethyl-N-methyloctadecan-1-amine;hydrochloride

N-ethyl-N-methyloctadecan-1-amine;hydrochloride (PubChem CID 174373981) has the molecular formula C21H46ClN and a molecular weight of 348.06 g/mol. Its IUPAC name is N-ethyl-N-methyloctadecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-methyloctadecan-1-amine;hydrochloride
PubChem CID174373981
Molecular FormulaC21H46ClN
Molecular Weight348.06 g/mol
Exact Mass347.33
IUPAC NameN-ethyl-N-methyloctadecan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(C)CC.Cl
InChIInChI=1S/C21H45N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2;/h4-21H2,1-3H3;1H
InChIKeyGMHOBBMCBIWTKO-UHFFFAOYSA-N
XLogP7.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.06
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-methyldodecan-1-amine;hydrochloride
CID 86105251
N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyloctadecan-1-amine;hydrochloride?
The IUPAC name of N-ethyl-N-methyloctadecan-1-amine;hydrochloride (CID 174373981) is N-ethyl-N-methyloctadecan-1-amine;hydrochloride.
What is the SMILES notation for N-ethyl-N-methyloctadecan-1-amine;hydrochloride?
The canonical SMILES for N-ethyl-N-methyloctadecan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCN(C)CC.Cl.
What is the InChIKey of N-ethyl-N-methyloctadecan-1-amine;hydrochloride?
The InChIKey is GMHOBBMCBIWTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2;/h4-21H2,1-3H3;1H.
What are the key properties of N-ethyl-N-methyloctadecan-1-amine;hydrochloride?
N-ethyl-N-methyloctadecan-1-amine;hydrochloride has a molecular weight of 348.06 g/mol, XLogP of 7.62, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyloctadecan-1-amine;hydrochloride is sourced from PubChem (CID 174373981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).