N-iodo-N,2-dimethylbutan-2-amine

C6H14IN — CID 154548440

IUPACN-iodo-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)I
InChIInChI=1S/C6H14IN/c1-5-6(2,3)8(4)7/h5H2,1-4H3
InChIKeyJRZMSZHLEWAPGZ-UHFFFAOYSA-N
MW227.09 g/mol
LogP2.46
Rot. Bonds2

About N-iodo-N,2-dimethylbutan-2-amine

N-iodo-N,2-dimethylbutan-2-amine (PubChem CID 154548440) has the molecular formula C6H14IN and a molecular weight of 227.09 g/mol. Its IUPAC name is N-iodo-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-iodo-N,2-dimethylbutan-2-amine
PubChem CID154548440
Molecular FormulaC6H14IN
Molecular Weight227.09 g/mol
Exact Mass227.02
IUPAC NameN-iodo-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)I
InChIInChI=1S/C6H14IN/c1-5-6(2,3)8(4)7/h5H2,1-4H3
InChIKeyJRZMSZHLEWAPGZ-UHFFFAOYSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N,2-dimethylbutan-2-amine?
The IUPAC name of N-iodo-N,2-dimethylbutan-2-amine (CID 154548440) is N-iodo-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-iodo-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-iodo-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)I.
What is the InChIKey of N-iodo-N,2-dimethylbutan-2-amine?
The InChIKey is JRZMSZHLEWAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN/c1-5-6(2,3)8(4)7/h5H2,1-4H3.
What are the key properties of N-iodo-N,2-dimethylbutan-2-amine?
N-iodo-N,2-dimethylbutan-2-amine has a molecular weight of 227.09 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 154548440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).