azane;1-chlorohexadecane;N,N-dimethylmethanamine

C19H45ClN2 — CID 172752660

IUPACazane;1-chlorohexadecane;N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCCCCCCl.CN(C)C.N
InChIInChI=1S/C16H33Cl.C3H9N.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4(2)3;/h2-16H2,1H3;1-3H3;1H3
InChIKeyKOTRDSYFANLJAE-UHFFFAOYSA-N
MW337.04 g/mol
LogP7.05
Rot. Bonds14

About azane;1-chlorohexadecane;N,N-dimethylmethanamine

azane;1-chlorohexadecane;N,N-dimethylmethanamine (PubChem CID 172752660) has the molecular formula C19H45ClN2 and a molecular weight of 337.04 g/mol. Its IUPAC name is azane;1-chlorohexadecane;N,N-dimethylmethanamine.

Molecular Properties

Compound Nameazane;1-chlorohexadecane;N,N-dimethylmethanamine
PubChem CID172752660
Molecular FormulaC19H45ClN2
Molecular Weight337.04 g/mol
Exact Mass336.33
IUPAC Nameazane;1-chlorohexadecane;N,N-dimethylmethanamine
SMILESCCCCCCCCCCCCCCCCCl.CN(C)C.N
InChIInChI=1S/C16H33Cl.C3H9N.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4(2)3;/h2-16H2,1H3;1-3H3;1H3
InChIKeyKOTRDSYFANLJAE-UHFFFAOYSA-N
XLogP7.05
TPSA38.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.04
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
sodium;1-chlorododecane;chloride
CID 175001889
sodium;carbanide;1-chlorododecane
CID 175514406
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
azane;N,N-dimethylmethanamine;octacosane;hydrochloride
CID 174624650

Frequently Asked Questions

What is the IUPAC name of azane;1-chlorohexadecane;N,N-dimethylmethanamine?
The IUPAC name of azane;1-chlorohexadecane;N,N-dimethylmethanamine (CID 172752660) is azane;1-chlorohexadecane;N,N-dimethylmethanamine.
What is the SMILES notation for azane;1-chlorohexadecane;N,N-dimethylmethanamine?
The canonical SMILES for azane;1-chlorohexadecane;N,N-dimethylmethanamine is CCCCCCCCCCCCCCCCCl.CN(C)C.N.
What is the InChIKey of azane;1-chlorohexadecane;N,N-dimethylmethanamine?
The InChIKey is KOTRDSYFANLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Cl.C3H9N.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4(2)3;/h2-16H2,1H3;1-3H3;1H3.
What are the key properties of azane;1-chlorohexadecane;N,N-dimethylmethanamine?
azane;1-chlorohexadecane;N,N-dimethylmethanamine has a molecular weight of 337.04 g/mol, XLogP of 7.05, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-chlorohexadecane;N,N-dimethylmethanamine is sourced from PubChem (CID 172752660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).