chloroethane;N,N-dimethylhexadecan-1-amine

C20H44ClN — CID 87849002

IUPACchloroethane;N,N-dimethylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(C)C.CCCl
InChIInChI=1S/C18H39N.C2H5Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3/h4-18H2,1-3H3;2H2,1H3
InChIKeyTYMAZJNKOFSTLC-UHFFFAOYSA-N
MW334.03 g/mol
LogP7.27
Rot. Bonds15

About chloroethane;N,N-dimethylhexadecan-1-amine

chloroethane;N,N-dimethylhexadecan-1-amine (PubChem CID 87849002) has the molecular formula C20H44ClN and a molecular weight of 334.03 g/mol. Its IUPAC name is chloroethane;N,N-dimethylhexadecan-1-amine.

Molecular Properties

Compound Namechloroethane;N,N-dimethylhexadecan-1-amine
PubChem CID87849002
Molecular FormulaC20H44ClN
Molecular Weight334.03 g/mol
Exact Mass333.32
IUPAC Namechloroethane;N,N-dimethylhexadecan-1-amine
SMILESCCCCCCCCCCCCCCCCN(C)C.CCCl
InChIInChI=1S/C18H39N.C2H5Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3/h4-18H2,1-3H3;2H2,1H3
InChIKeyTYMAZJNKOFSTLC-UHFFFAOYSA-N
XLogP7.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.03
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920

Frequently Asked Questions

What is the IUPAC name of chloroethane;N,N-dimethylhexadecan-1-amine?
The IUPAC name of chloroethane;N,N-dimethylhexadecan-1-amine (CID 87849002) is chloroethane;N,N-dimethylhexadecan-1-amine.
What is the SMILES notation for chloroethane;N,N-dimethylhexadecan-1-amine?
The canonical SMILES for chloroethane;N,N-dimethylhexadecan-1-amine is CCCCCCCCCCCCCCCCN(C)C.CCCl.
What is the InChIKey of chloroethane;N,N-dimethylhexadecan-1-amine?
The InChIKey is TYMAZJNKOFSTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.C2H5Cl/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3/h4-18H2,1-3H3;2H2,1H3.
What are the key properties of chloroethane;N,N-dimethylhexadecan-1-amine?
chloroethane;N,N-dimethylhexadecan-1-amine has a molecular weight of 334.03 g/mol, XLogP of 7.27, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;N,N-dimethylhexadecan-1-amine is sourced from PubChem (CID 87849002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).