4-(aminomethyl)-2-methylhexanoyl iodide

C8H16INO — CID 163999902

IUPAC4-(aminomethyl)-2-methylhexanoyl iodide
SMILESCCC(CN)CC(C)C(=O)I
InChIInChI=1S/C8H16INO/c1-3-7(5-10)4-6(2)8(9)11/h6-7H,3-5,10H2,1-2H3
InChIKeyUIBFPCZVFCLWRW-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.96
Rot. Bonds5

About 4-(aminomethyl)-2-methylhexanoyl iodide

4-(aminomethyl)-2-methylhexanoyl iodide (PubChem CID 163999902) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methylhexanoyl iodide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methylhexanoyl iodide
PubChem CID163999902
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name4-(aminomethyl)-2-methylhexanoyl iodide
SMILESCCC(CN)CC(C)C(=O)I
InChIInChI=1S/C8H16INO/c1-3-7(5-10)4-6(2)8(9)11/h6-7H,3-5,10H2,1-2H3
InChIKeyUIBFPCZVFCLWRW-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-methylhexanoic acid
CID 177106642
2,4-diethylpentane-1,5-diamine;ethanamine
CID 162225203
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389
2-ethylpropane-1,3-diamine
CID 14499053
(2S)-2-[3-(aminomethyl)pentanoylamino]-4-methylpentanoic acid
CID 81087218
2-(aminomethyl)-4-ethylhexanamide
CID 62313240
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
CID 81072118
1-amino-7-ethyl-2-methylnonan-5-one
CID 116607621
2-ethyl-4-methyloctan-1-amine
CID 21358746
methyl 3-(aminomethyl)pentanoate
CID 66099134
5-ethyl-3-methyloctan-2-one
CID 155598738
3-(aminomethyl)pentanehydrazide
CID 81079841

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methylhexanoyl iodide?
The IUPAC name of 4-(aminomethyl)-2-methylhexanoyl iodide (CID 163999902) is 4-(aminomethyl)-2-methylhexanoyl iodide.
What is the SMILES notation for 4-(aminomethyl)-2-methylhexanoyl iodide?
The canonical SMILES for 4-(aminomethyl)-2-methylhexanoyl iodide is CCC(CN)CC(C)C(=O)I.
What is the InChIKey of 4-(aminomethyl)-2-methylhexanoyl iodide?
The InChIKey is UIBFPCZVFCLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-3-7(5-10)4-6(2)8(9)11/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methylhexanoyl iodide?
4-(aminomethyl)-2-methylhexanoyl iodide has a molecular weight of 269.13 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methylhexanoyl iodide is sourced from PubChem (CID 163999902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).