3,4-diethyl-3-iodo-4-methylhexan-2-amine

C11H24IN — CID 163902899

IUPAC3,4-diethyl-3-iodo-4-methylhexan-2-amine
SMILESCCC(C)(CC)C(I)(CC)C(C)N
InChIInChI=1S/C11H24IN/c1-6-10(5,7-2)11(12,8-3)9(4)13/h9H,6-8,13H2,1-5H3
InChIKeyQLKNBXUSRDCQCU-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.74
Rot. Bonds5

About 3,4-diethyl-3-iodo-4-methylhexan-2-amine

3,4-diethyl-3-iodo-4-methylhexan-2-amine (PubChem CID 163902899) has the molecular formula C11H24IN and a molecular weight of 297.22 g/mol. Its IUPAC name is 3,4-diethyl-3-iodo-4-methylhexan-2-amine.

Molecular Properties

Compound Name3,4-diethyl-3-iodo-4-methylhexan-2-amine
PubChem CID163902899
Molecular FormulaC11H24IN
Molecular Weight297.22 g/mol
Exact Mass297.10
IUPAC Name3,4-diethyl-3-iodo-4-methylhexan-2-amine
SMILESCCC(C)(CC)C(I)(CC)C(C)N
InChIInChI=1S/C11H24IN/c1-6-10(5,7-2)11(12,8-3)9(4)13/h9H,6-8,13H2,1-5H3
InChIKeyQLKNBXUSRDCQCU-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.74
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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Related Compounds

azane;3-methylpentane-2,3-diamine
CID 174323665
3-methoxy-3-methylpentan-2-amine
CID 116757359
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872
4-ethyl-4-methylhexan-3-amine
CID 163866952
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
3,4-diethyl-4-methylhexan-3-amine
CID 89098047
4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
CID 79127301
3-methoxy-3-methyl-1-propan-2-yloxypentan-2-amine
CID 116757416
3-ethoxy-3-ethylpentan-2-amine
CID 116759599
3-methylpentane-1,2,3,4-tetramine
CID 90456195
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
2,2-dimethylbutane-1,3-diamine
CID 22255870

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-3-iodo-4-methylhexan-2-amine?
The IUPAC name of 3,4-diethyl-3-iodo-4-methylhexan-2-amine (CID 163902899) is 3,4-diethyl-3-iodo-4-methylhexan-2-amine.
What is the SMILES notation for 3,4-diethyl-3-iodo-4-methylhexan-2-amine?
The canonical SMILES for 3,4-diethyl-3-iodo-4-methylhexan-2-amine is CCC(C)(CC)C(I)(CC)C(C)N.
What is the InChIKey of 3,4-diethyl-3-iodo-4-methylhexan-2-amine?
The InChIKey is QLKNBXUSRDCQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24IN/c1-6-10(5,7-2)11(12,8-3)9(4)13/h9H,6-8,13H2,1-5H3.
What are the key properties of 3,4-diethyl-3-iodo-4-methylhexan-2-amine?
3,4-diethyl-3-iodo-4-methylhexan-2-amine has a molecular weight of 297.22 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-3-iodo-4-methylhexan-2-amine is sourced from PubChem (CID 163902899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).