(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol

C7H16INO — CID 127002205

IUPAC(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol
SMILESCCN(CCI)C[C@H](C)O
InChIInChI=1S/C7H16INO/c1-3-9(5-4-8)6-7(2)10/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLJRGXPOEUSDJGV-ZETCQYMHSA-N
MW257.11 g/mol
LogP1.12
Rot. Bonds5

About (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol

(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol (PubChem CID 127002205) has the molecular formula C7H16INO and a molecular weight of 257.11 g/mol. Its IUPAC name is (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol
PubChem CID127002205
Molecular FormulaC7H16INO
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Name(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol
SMILESCCN(CCI)C[C@H](C)O
InChIInChI=1S/C7H16INO/c1-3-9(5-4-8)6-7(2)10/h7,10H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLJRGXPOEUSDJGV-ZETCQYMHSA-N
XLogP1.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 51.12
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'}

Analyze (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 106932732
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
4-[ethyl(2-methylbutyl)amino]butan-2-ol
CID 79482541
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol (CID 127002205) is (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol is CCN(CCI)C[C@H](C)O.
What is the InChIKey of (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol?
The InChIKey is LJRGXPOEUSDJGV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16INO/c1-3-9(5-4-8)6-7(2)10/h7,10H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol?
(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol has a molecular weight of 257.11 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol is sourced from PubChem (CID 127002205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).