2-iodo-N,4-dimethylpentan-1-amine

C7H16IN — CID 155421161

IUPAC2-iodo-N,4-dimethylpentan-1-amine
SMILESCNCC(I)CC(C)C
InChIInChI=1S/C7H16IN/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5H2,1-3H3
InChIKeyJZMQXZINVGGQMI-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.06
Rot. Bonds4

About 2-iodo-N,4-dimethylpentan-1-amine

2-iodo-N,4-dimethylpentan-1-amine (PubChem CID 155421161) has the molecular formula C7H16IN and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-iodo-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-iodo-N,4-dimethylpentan-1-amine
PubChem CID155421161
Molecular FormulaC7H16IN
Molecular Weight241.12 g/mol
Exact Mass241.03
IUPAC Name2-iodo-N,4-dimethylpentan-1-amine
SMILESCNCC(I)CC(C)C
InChIInChI=1S/C7H16IN/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5H2,1-3H3
InChIKeyJZMQXZINVGGQMI-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.06
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 2-iodo-N,4-dimethylpentan-1-amine?
The IUPAC name of 2-iodo-N,4-dimethylpentan-1-amine (CID 155421161) is 2-iodo-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-iodo-N,4-dimethylpentan-1-amine?
The canonical SMILES for 2-iodo-N,4-dimethylpentan-1-amine is CNCC(I)CC(C)C.
What is the InChIKey of 2-iodo-N,4-dimethylpentan-1-amine?
The InChIKey is JZMQXZINVGGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16IN/c1-6(2)4-7(8)5-9-3/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 2-iodo-N,4-dimethylpentan-1-amine?
2-iodo-N,4-dimethylpentan-1-amine has a molecular weight of 241.12 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 155421161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).