N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine

C11H24IN — CID 163579822

IUPACN-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine
SMILESCC(C)(I)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C11H24IN/c1-9(2,3)13-11(6,7)8-10(4,5)12/h13H,8H2,1-7H3
InChIKeyGGOQEDIQQUTVLV-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.76
Rot. Bonds3

About N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine

N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine (PubChem CID 163579822) has the molecular formula C11H24IN and a molecular weight of 297.22 g/mol. Its IUPAC name is N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine
PubChem CID163579822
Molecular FormulaC11H24IN
Molecular Weight297.22 g/mol
Exact Mass297.10
IUPAC NameN-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine
SMILESCC(C)(I)CC(C)(C)NC(C)(C)C
InChIInChI=1S/C11H24IN/c1-9(2,3)13-11(6,7)8-10(4,5)12/h13H,8H2,1-7H3
InChIKeyGGOQEDIQQUTVLV-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine?
The IUPAC name of N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine (CID 163579822) is N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine.
What is the SMILES notation for N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine?
The canonical SMILES for N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine is CC(C)(I)CC(C)(C)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine?
The InChIKey is GGOQEDIQQUTVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24IN/c1-9(2,3)13-11(6,7)8-10(4,5)12/h13H,8H2,1-7H3.
What are the key properties of N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine?
N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine has a molecular weight of 297.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-iodo-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 163579822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).