N,N-dimethyloctan-1-amine;trihydrochloride

C10H26Cl3N — CID 172784847

IUPACN,N-dimethyloctan-1-amine;trihydrochloride
SMILESCCCCCCCCN(C)C.Cl.Cl.Cl
InChIInChI=1S/C10H23N.3ClH/c1-4-5-6-7-8-9-10-11(2)3;;;/h4-10H2,1-3H3;3*1H
InChIKeyOTEZIDXNAFJOTO-UHFFFAOYSA-N
MW266.68 g/mol
LogP4.17
Rot. Bonds7

About N,N-dimethyloctan-1-amine;trihydrochloride

N,N-dimethyloctan-1-amine;trihydrochloride (PubChem CID 172784847) has the molecular formula C10H26Cl3N and a molecular weight of 266.68 g/mol. Its IUPAC name is N,N-dimethyloctan-1-amine;trihydrochloride.

Molecular Properties

Compound NameN,N-dimethyloctan-1-amine;trihydrochloride
PubChem CID172784847
Molecular FormulaC10H26Cl3N
Molecular Weight266.68 g/mol
Exact Mass265.11
IUPAC NameN,N-dimethyloctan-1-amine;trihydrochloride
SMILESCCCCCCCCN(C)C.Cl.Cl.Cl
InChIInChI=1S/C10H23N.3ClH/c1-4-5-6-7-8-9-10-11(2)3;;;/h4-10H2,1-3H3;3*1H
InChIKeyOTEZIDXNAFJOTO-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 54.17
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,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
chloroethane;N,N-dimethylhexadecan-1-amine
CID 87849002
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloctan-1-amine;trihydrochloride?
The IUPAC name of N,N-dimethyloctan-1-amine;trihydrochloride (CID 172784847) is N,N-dimethyloctan-1-amine;trihydrochloride.
What is the SMILES notation for N,N-dimethyloctan-1-amine;trihydrochloride?
The canonical SMILES for N,N-dimethyloctan-1-amine;trihydrochloride is CCCCCCCCN(C)C.Cl.Cl.Cl.
What is the InChIKey of N,N-dimethyloctan-1-amine;trihydrochloride?
The InChIKey is OTEZIDXNAFJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.3ClH/c1-4-5-6-7-8-9-10-11(2)3;;;/h4-10H2,1-3H3;3*1H.
What are the key properties of N,N-dimethyloctan-1-amine;trihydrochloride?
N,N-dimethyloctan-1-amine;trihydrochloride has a molecular weight of 266.68 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctan-1-amine;trihydrochloride is sourced from PubChem (CID 172784847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).