N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide

C17H41IN2 — CID 174345360

IUPACN,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide
SMILESCCCCCCCCCCCCCCN.CN(C)C.I
InChIInChI=1S/C14H31N.C3H9N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4(2)3;/h2-15H2,1H3;1-3H3;1H
InChIKeyCGUXKCXTZHMKKY-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.44
Rot. Bonds12

About N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide

N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide (PubChem CID 174345360) has the molecular formula C17H41IN2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide
PubChem CID174345360
Molecular FormulaC17H41IN2
Molecular Weight400.43 g/mol
Exact Mass400.23
IUPAC NameN,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide
SMILESCCCCCCCCCCCCCCN.CN(C)C.I
InChIInChI=1S/C14H31N.C3H9N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4(2)3;/h2-15H2,1H3;1-3H3;1H
InChIKeyCGUXKCXTZHMKKY-UHFFFAOYSA-N
XLogP5.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;tetradecan-1-amine
CID 172778016
N,N-dimethylmethanamine;heptan-1-amine
CID 172839384
hexadecan-1-amine;hydroiodide
CID 173125534
decan-1-amine;tetrakis(hexane);hydroiodide
CID 173346664
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
octadecan-1-amine;titanium
CID 174493472
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide?
The IUPAC name of N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide (CID 174345360) is N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide.
What is the SMILES notation for N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide?
The canonical SMILES for N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide is CCCCCCCCCCCCCCN.CN(C)C.I.
What is the InChIKey of N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide?
The InChIKey is CGUXKCXTZHMKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C3H9N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-4(2)3;/h2-15H2,1H3;1-3H3;1H.
What are the key properties of N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide?
N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide has a molecular weight of 400.43 g/mol, XLogP of 5.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;tetradecan-1-amine;hydroiodide is sourced from PubChem (CID 174345360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).