N,N-dimethyltetracosan-1-amine;hydrochloride

C26H56ClN — CID 173002341

IUPACN,N-dimethyltetracosan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C26H55N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3;/h4-26H2,1-3H3;1H
InChIKeySPAXCNZOJWHFCB-UHFFFAOYSA-N
MW418.19 g/mol
LogP9.57
Rot. Bonds23

About N,N-dimethyltetracosan-1-amine;hydrochloride

N,N-dimethyltetracosan-1-amine;hydrochloride (PubChem CID 173002341) has the molecular formula C26H56ClN and a molecular weight of 418.19 g/mol. Its IUPAC name is N,N-dimethyltetracosan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyltetracosan-1-amine;hydrochloride
PubChem CID173002341
Molecular FormulaC26H56ClN
Molecular Weight418.19 g/mol
Exact Mass417.41
IUPAC NameN,N-dimethyltetracosan-1-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C26H55N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3;/h4-26H2,1-3H3;1H
InChIKeySPAXCNZOJWHFCB-UHFFFAOYSA-N
XLogP9.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.19
LogP ≤ 59.57
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-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
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
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
chloroethane;N,N-dimethylhexadecan-1-amine
CID 87849002
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyltetracosan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyltetracosan-1-amine;hydrochloride (CID 173002341) is N,N-dimethyltetracosan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyltetracosan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyltetracosan-1-amine;hydrochloride is CCCCCCCCCCCCCCCCCCCCCCCCN(C)C.Cl.
What is the InChIKey of N,N-dimethyltetracosan-1-amine;hydrochloride?
The InChIKey is SPAXCNZOJWHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(2)3;/h4-26H2,1-3H3;1H.
What are the key properties of N,N-dimethyltetracosan-1-amine;hydrochloride?
N,N-dimethyltetracosan-1-amine;hydrochloride has a molecular weight of 418.19 g/mol, XLogP of 9.57, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltetracosan-1-amine;hydrochloride is sourced from PubChem (CID 173002341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).