1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one

C10H21INO- — CID 163735301

IUPAC1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one
SMILESCCC(CC)CNCC(=O)C[I-]C
InChIInChI=1S/C10H21INO/c1-4-9(5-2)7-12-8-10(13)6-11-3/h9,12H,4-8H2,1-3H3/q-1
InChIKeyIZTLVYZQQFTUQH-UHFFFAOYSA-N
MW298.19 g/mol
LogP-1.70
Rot. Bonds8

About 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one

1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one (PubChem CID 163735301) has the molecular formula C10H21INO- and a molecular weight of 298.19 g/mol. Its IUPAC name is 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one.

Molecular Properties

Compound Name1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one
PubChem CID163735301
Molecular FormulaC10H21INO-
Molecular Weight298.19 g/mol
Exact Mass298.07
IUPAC Name1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one
SMILESCCC(CC)CNCC(=O)C[I-]C
InChIInChI=1S/C10H21INO/c1-4-9(5-2)7-12-8-10(13)6-11-3/h9,12H,4-8H2,1-3H3/q-1
InChIKeyIZTLVYZQQFTUQH-UHFFFAOYSA-N
XLogP-1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroprop-2-enyl)-2-ethylbutan-1-amine
CID 115756913
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
2-(2-ethylhexylamino)-N-(2-methylpropyl)acetamide
CID 112683030
N,2-diethylbutan-1-amine;hydrochloride
CID 171379469
N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
1-(2-methylpropylamino)pentan-2-one
CID 58806853
3-(2-ethylbutylamino)-1,1,1-trifluoropropan-2-ol
CID 115592465
methyl (2S)-2-(2-ethylbutylamino)propanoate
CID 43723607
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
methyl 2-acetamido-3-(2-ethylbutylamino)propanoate
CID 103267065

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one?
The IUPAC name of 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one (CID 163735301) is 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one.
What is the SMILES notation for 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one?
The canonical SMILES for 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one is CCC(CC)CNCC(=O)C[I-]C.
What is the InChIKey of 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one?
The InChIKey is IZTLVYZQQFTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21INO/c1-4-9(5-2)7-12-8-10(13)6-11-3/h9,12H,4-8H2,1-3H3/q-1.
What are the key properties of 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one?
1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one has a molecular weight of 298.19 g/mol, XLogP of -1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutylamino)-3-methyliodanuidylpropan-2-one is sourced from PubChem (CID 163735301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).