5-ethyl-6-iodo-N,N-dimethyldecan-1-amine

C14H30IN — CID 126565702

IUPAC5-ethyl-6-iodo-N,N-dimethyldecan-1-amine
SMILESCCCCC(I)C(CC)CCCCN(C)C
InChIInChI=1S/C14H30IN/c1-5-7-11-14(15)13(6-2)10-8-9-12-16(3)4/h13-14H,5-12H2,1-4H3
InChIKeyUETFLJSQKMUXLJ-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.74
Rot. Bonds10

About 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine

5-ethyl-6-iodo-N,N-dimethyldecan-1-amine (PubChem CID 126565702) has the molecular formula C14H30IN and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine.

Molecular Properties

Compound Name5-ethyl-6-iodo-N,N-dimethyldecan-1-amine
PubChem CID126565702
Molecular FormulaC14H30IN
Molecular Weight339.31 g/mol
Exact Mass339.14
IUPAC Name5-ethyl-6-iodo-N,N-dimethyldecan-1-amine
SMILESCCCCC(I)C(CC)CCCCN(C)C
InChIInChI=1S/C14H30IN/c1-5-7-11-14(15)13(6-2)10-8-9-12-16(3)4/h13-14H,5-12H2,1-4H3
InChIKeyUETFLJSQKMUXLJ-UHFFFAOYSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.74
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(1-iodoethyl)-N,N-dimethylnonan-1-amine
CID 167004747
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
CID 172995497
tributyl-[3-(dimethylamino)propyl]phosphanium chloride
CID 19764961
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
5,6-diethyldodecane
CID 90761715
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
5-butyl-6-ethyldodecane
CID 529932
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
azane;N,N-dimethyltetradecan-1-amine
CID 175798772

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine?
The IUPAC name of 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine (CID 126565702) is 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine.
What is the SMILES notation for 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine?
The canonical SMILES for 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine is CCCCC(I)C(CC)CCCCN(C)C.
What is the InChIKey of 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine?
The InChIKey is UETFLJSQKMUXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30IN/c1-5-7-11-14(15)13(6-2)10-8-9-12-16(3)4/h13-14H,5-12H2,1-4H3.
What are the key properties of 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine?
5-ethyl-6-iodo-N,N-dimethyldecan-1-amine has a molecular weight of 339.31 g/mol, XLogP of 4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-iodo-N,N-dimethyldecan-1-amine is sourced from PubChem (CID 126565702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).