N-iodo-1-(5-methyloxolan-3-yl)methanamine

C6H12INO — CID 89101190

IUPACN-iodo-1-(5-methyloxolan-3-yl)methanamine
SMILESCC1CC(CNI)CO1
InChIInChI=1S/C6H12INO/c1-5-2-6(3-8-7)4-9-5/h5-6,8H,2-4H2,1H3
InChIKeyGDUUENLLYUWPNT-UHFFFAOYSA-N
MW241.07 g/mol
LogP1.35
Rot. Bonds2

About N-iodo-1-(5-methyloxolan-3-yl)methanamine

N-iodo-1-(5-methyloxolan-3-yl)methanamine (PubChem CID 89101190) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is N-iodo-1-(5-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-iodo-1-(5-methyloxolan-3-yl)methanamine
PubChem CID89101190
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC NameN-iodo-1-(5-methyloxolan-3-yl)methanamine
SMILESCC1CC(CNI)CO1
InChIInChI=1S/C6H12INO/c1-5-2-6(3-8-7)4-9-5/h5-6,8H,2-4H2,1H3
InChIKeyGDUUENLLYUWPNT-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-iodo-1-(5-methyloxolan-3-yl)methanamine 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

ethane;N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 143946958
N-[(5-methyloxolan-3-yl)methyl]cyclopentanamine
CID 114825433
N-[(5-methyloxolan-3-yl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114825454
methyl-[(5-methyloxolan-3-yl)methyl]azanide
CID 155624971
2-methyloxirane;molecular iodine
CID 91277313
2-methyloxirane;polane
CID 173240072
CID 163498360
CID 163498360
λ2-plumbane;2-methyloxirane
CID 173222692
1-methyl-N-[(2-methyloxan-4-yl)methyl]cyclopropan-1-amine
CID 126991122
zinc;2-methyloxirane;dichloride
CID 21163562
magnesium;hydride;2-methyloxirane
CID 173126818
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981

Frequently Asked Questions

What is the IUPAC name of N-iodo-1-(5-methyloxolan-3-yl)methanamine?
The IUPAC name of N-iodo-1-(5-methyloxolan-3-yl)methanamine (CID 89101190) is N-iodo-1-(5-methyloxolan-3-yl)methanamine.
What is the SMILES notation for N-iodo-1-(5-methyloxolan-3-yl)methanamine?
The canonical SMILES for N-iodo-1-(5-methyloxolan-3-yl)methanamine is CC1CC(CNI)CO1.
What is the InChIKey of N-iodo-1-(5-methyloxolan-3-yl)methanamine?
The InChIKey is GDUUENLLYUWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO/c1-5-2-6(3-8-7)4-9-5/h5-6,8H,2-4H2,1H3.
What are the key properties of N-iodo-1-(5-methyloxolan-3-yl)methanamine?
N-iodo-1-(5-methyloxolan-3-yl)methanamine has a molecular weight of 241.07 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-(5-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 89101190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).