4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine

C12H17IN2O — CID 134405873

IUPAC4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Oc2ccc(I)nc2)CC1
InChIInChI=1S/C12H17IN2O/c1-14-9-2-4-10(5-3-9)16-11-6-7-12(13)15-8-11/h6-10,14H,2-5H2,1H3
InChIKeyYROHUNJEBZYMHA-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.60
Rot. Bonds3

About 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine

4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine (PubChem CID 134405873) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine
PubChem CID134405873
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(Oc2ccc(I)nc2)CC1
InChIInChI=1S/C12H17IN2O/c1-14-9-2-4-10(5-3-9)16-11-6-7-12(13)15-8-11/h6-10,14H,2-5H2,1H3
InChIKeyYROHUNJEBZYMHA-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine 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

cis-(1S,2R)-2-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclopentan-1-amine
CID 134601508
2-iodo-5-piperidin-4-yloxypyridine
CID 134406589
N-methyl-1-[5-(4-methylcyclohexyl)oxy-2-pyridinyl]methanamine
CID 79776751
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
2-(chloromethyl)-5-cyclopropyloxypyridine
CID 130562964
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
4-(7-methoxyquinazolin-4-yl)oxy-N-methylcyclohexan-1-amine
CID 152704088
N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
CID 166814790
4-N-(5-iodopyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 79110333
N-methyl-4-(1H-pyrazol-5-yloxy)cyclohexan-1-amine
CID 126655425
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859

Frequently Asked Questions

What is the IUPAC name of 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine (CID 134405873) is 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine is CNC1CCC(Oc2ccc(I)nc2)CC1.
What is the InChIKey of 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
The InChIKey is YROHUNJEBZYMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-14-9-2-4-10(5-3-9)16-11-6-7-12(13)15-8-11/h6-10,14H,2-5H2,1H3.
What are the key properties of 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine?
4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine has a molecular weight of 332.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 134405873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).