4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine

C8H16INO — CID 167029059

IUPAC4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)NC(CCCI)CO1
InChIInChI=1S/C8H16INO/c1-8(2)10-7(6-11-8)4-3-5-9/h7,10H,3-6H2,1-2H3
InChIKeyMVWBLDRSYHIYKX-UHFFFAOYSA-N
MW269.13 g/mol
LogP1.93
Rot. Bonds3

About 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine

4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine (PubChem CID 167029059) has the molecular formula C8H16INO and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine
PubChem CID167029059
Molecular FormulaC8H16INO
Molecular Weight269.13 g/mol
Exact Mass269.03
IUPAC Name4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine
SMILESCC1(C)NC(CCCI)CO1
InChIInChI=1S/C8H16INO/c1-8(2)10-7(6-11-8)4-3-5-9/h7,10H,3-6H2,1-2H3
InChIKeyMVWBLDRSYHIYKX-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 51.93
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 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine 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

(4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine
CID 174697088
2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethanamine
CID 167741646
[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanol
CID 97178926
1-(2,2-dimethyl-1,3-oxazolidin-4-yl)-N-methylmethanamine
CID 21061249
2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine
CID 18720150
5-chloro-N-[5-[2-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
CID 141327905
(4R)-4-tert-butyl-2,2-dimethyl-1,3-oxazolidine
CID 130656460
(4R)-2,2-dimethyl-4-propan-2-yl-1,3-oxazolidine
CID 130730837
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 24804857
2,4-diethyl-2-methyl-1,3-oxazolidine
CID 55300109
4-ethyl-2-methyl-2-propan-2-yl-1,3-oxazolidine
CID 45096021
3-iodopropylcyclopentane
CID 15508337

Frequently Asked Questions

What is the IUPAC name of 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine?
The IUPAC name of 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine (CID 167029059) is 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine?
The canonical SMILES for 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine is CC1(C)NC(CCCI)CO1.
What is the InChIKey of 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine?
The InChIKey is MVWBLDRSYHIYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO/c1-8(2)10-7(6-11-8)4-3-5-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine?
4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine has a molecular weight of 269.13 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-iodopropyl)-2,2-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 167029059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).