1-ethyliodanuidyl-N-methylethanamine

C5H13IN- — CID 153046421

IUPAC1-ethyliodanuidyl-N-methylethanamine
SMILESCC[I-]C(C)NC
InChIInChI=1S/C5H13IN/c1-4-6-5(2)7-3/h5,7H,4H2,1-3H3/q-1
InChIKeyZHTYOKRDHHDCQO-UHFFFAOYSA-N
MW214.07 g/mol
LogP-2.34
Rot. Bonds3

About 1-ethyliodanuidyl-N-methylethanamine

1-ethyliodanuidyl-N-methylethanamine (PubChem CID 153046421) has the molecular formula C5H13IN- and a molecular weight of 214.07 g/mol. Its IUPAC name is 1-ethyliodanuidyl-N-methylethanamine.

Molecular Properties

Compound Name1-ethyliodanuidyl-N-methylethanamine
PubChem CID153046421
Molecular FormulaC5H13IN-
Molecular Weight214.07 g/mol
Exact Mass214.01
IUPAC Name1-ethyliodanuidyl-N-methylethanamine
SMILESCC[I-]C(C)NC
InChIInChI=1S/C5H13IN/c1-4-6-5(2)7-3/h5,7H,4H2,1-3H3/q-1
InChIKeyZHTYOKRDHHDCQO-UHFFFAOYSA-N
XLogP-2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.07
LogP ≤ 5-2.34
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(methylamino)ethanol;propanoic acid
CID 173051443
1-ethoxy-N-methylethanamine
CID 57089902
butane;ethane;N-methylbutan-2-amine
CID 145323571
N-methylpentan-2-amine;hydrochloride
CID 42919600
N,4-dimethylhexan-3-amine
CID 63559808
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
(E,3S)-4-ethyl-N,3,5-trimethylhept-4-en-2-amine
CID 129238206
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
3-ethyl-3-N,3-N,4-N,6-tetramethylheptane-3,4-diamine
CID 79062379
2-deuterio-N-methylpropan-2-amine
CID 59872547
3-ethyl-N,4-dimethylhexan-2-amine
CID 163950897
N-propan-2-ylhepta-2,4-diyn-1-amine
CID 170374005

Frequently Asked Questions

What is the IUPAC name of 1-ethyliodanuidyl-N-methylethanamine?
The IUPAC name of 1-ethyliodanuidyl-N-methylethanamine (CID 153046421) is 1-ethyliodanuidyl-N-methylethanamine.
What is the SMILES notation for 1-ethyliodanuidyl-N-methylethanamine?
The canonical SMILES for 1-ethyliodanuidyl-N-methylethanamine is CC[I-]C(C)NC.
What is the InChIKey of 1-ethyliodanuidyl-N-methylethanamine?
The InChIKey is ZHTYOKRDHHDCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13IN/c1-4-6-5(2)7-3/h5,7H,4H2,1-3H3/q-1.
What are the key properties of 1-ethyliodanuidyl-N-methylethanamine?
1-ethyliodanuidyl-N-methylethanamine has a molecular weight of 214.07 g/mol, XLogP of -2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyliodanuidyl-N-methylethanamine is sourced from PubChem (CID 153046421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).