4-iodo-2-methyl-N-pentylbutan-2-amine

C10H22IN — CID 130471180

IUPAC4-iodo-2-methyl-N-pentylbutan-2-amine
SMILESCCCCCNC(C)(C)CCI
InChIInChI=1S/C10H22IN/c1-4-5-6-9-12-10(2,3)7-8-11/h12H,4-9H2,1-3H3
InChIKeyRGKKEOMEHPLCBP-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.37
Rot. Bonds7

About 4-iodo-2-methyl-N-pentylbutan-2-amine

4-iodo-2-methyl-N-pentylbutan-2-amine (PubChem CID 130471180) has the molecular formula C10H22IN and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-pentylbutan-2-amine.

Molecular Properties

Compound Name4-iodo-2-methyl-N-pentylbutan-2-amine
PubChem CID130471180
Molecular FormulaC10H22IN
Molecular Weight283.20 g/mol
Exact Mass283.08
IUPAC Name4-iodo-2-methyl-N-pentylbutan-2-amine
SMILESCCCCCNC(C)(C)CCI
InChIInChI=1S/C10H22IN/c1-4-5-6-9-12-10(2,3)7-8-11/h12H,4-9H2,1-3H3
InChIKeyRGKKEOMEHPLCBP-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-pentylbutan-2-amine?
The IUPAC name of 4-iodo-2-methyl-N-pentylbutan-2-amine (CID 130471180) is 4-iodo-2-methyl-N-pentylbutan-2-amine.
What is the SMILES notation for 4-iodo-2-methyl-N-pentylbutan-2-amine?
The canonical SMILES for 4-iodo-2-methyl-N-pentylbutan-2-amine is CCCCCNC(C)(C)CCI.
What is the InChIKey of 4-iodo-2-methyl-N-pentylbutan-2-amine?
The InChIKey is RGKKEOMEHPLCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22IN/c1-4-5-6-9-12-10(2,3)7-8-11/h12H,4-9H2,1-3H3.
What are the key properties of 4-iodo-2-methyl-N-pentylbutan-2-amine?
4-iodo-2-methyl-N-pentylbutan-2-amine has a molecular weight of 283.20 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-pentylbutan-2-amine is sourced from PubChem (CID 130471180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).