N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide

C21H45BrN2O — CID 175077977

IUPACN-hexadecyl-N-methylmorpholin-4-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCN(C)N1CCOCC1
InChIInChI=1S/C21H44N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23-18-20-24-21-19-23;/h3-21H2,1-2H3;1H
InChIKeyDILWKXUBYTZFTQ-UHFFFAOYSA-N
MW421.51 g/mol
LogP6.22
Rot. Bonds16

About N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide

N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide (PubChem CID 175077977) has the molecular formula C21H45BrN2O and a molecular weight of 421.51 g/mol. Its IUPAC name is N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide.

Molecular Properties

Compound NameN-hexadecyl-N-methylmorpholin-4-amine;hydrobromide
PubChem CID175077977
Molecular FormulaC21H45BrN2O
Molecular Weight421.51 g/mol
Exact Mass420.27
IUPAC NameN-hexadecyl-N-methylmorpholin-4-amine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCN(C)N1CCOCC1
InChIInChI=1S/C21H44N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23-18-20-24-21-19-23;/h3-21H2,1-2H3;1H
InChIKeyDILWKXUBYTZFTQ-UHFFFAOYSA-N
XLogP6.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-morpholin-4-yl-N-octylnitrous amide
CID 86260090
1,4-dioxane;tetradecane
CID 159034856
4-hexylmorpholine
CID 3614751
N-tetradecylmorpholin-4-amine;hydrobromide
CID 174875915
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
4-butylmorpholine;N,N-dimethylformamide
CID 178173228
4-(2-hexoxyethyl)morpholine
CID 3326674
4-hexadecan-8-ylmorpholine
CID 126489366
bis(N,N-dimethylmethanamine);undecane;dihydrobromide
CID 174667989

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide?
The IUPAC name of N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide (CID 175077977) is N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide.
What is the SMILES notation for N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide?
The canonical SMILES for N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide is Br.CCCCCCCCCCCCCCCCN(C)N1CCOCC1.
What is the InChIKey of N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide?
The InChIKey is DILWKXUBYTZFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)23-18-20-24-21-19-23;/h3-21H2,1-2H3;1H.
What are the key properties of N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide?
N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide has a molecular weight of 421.51 g/mol, XLogP of 6.22, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-N-methylmorpholin-4-amine;hydrobromide is sourced from PubChem (CID 175077977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).