[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride

C9H16ClN3O — CID 131637564

IUPAC[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cncn1C1CCOCC1
InChIInChI=1S/C9H15N3O.ClH/c10-5-9-6-11-7-12(9)8-1-3-13-4-2-8;/h6-8H,1-5,10H2;1H
InChIKeyUFZWSWCGKJQBIH-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.12
Rot. Bonds2

About [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride

[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride (PubChem CID 131637564) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride
PubChem CID131637564
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cncn1C1CCOCC1
InChIInChI=1S/C9H15N3O.ClH/c10-5-9-6-11-7-12(9)8-1-3-13-4-2-8;/h6-8H,1-5,10H2;1H
InChIKeyUFZWSWCGKJQBIH-UHFFFAOYSA-N
XLogP1.12
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride 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

[3-(oxetan-3-yl)imidazol-4-yl]methanamine
CID 84731290
[3-(3,3-dimethylcyclobutyl)imidazol-4-yl]methanamine
CID 130909334
[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]methanamine
CID 107854371
2-(3-cyclobutylimidazol-4-yl)ethanamine
CID 83873401
[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
CID 106717969
2-(3-cyclooctylimidazol-4-yl)ethanamine
CID 114716513
3-(oxan-4-yl)imidazole-4-carbaldehyde
CID 66148453
3-(3-cyclohexylimidazol-4-yl)propan-1-amine
CID 83883482
3-(oxan-4-yl)imidazole-4-carboxylic acid
CID 83679108
5-(chloromethyl)-1-cyclohexylimidazole;hydrochloride
CID 53398878
2-[3-(thian-4-yl)imidazol-4-yl]ethanamine
CID 84734602
(3S)-1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrolidin-3-amine
CID 115302453

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride (CID 131637564) is [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride is Cl.NCc1cncn1C1CCOCC1.
What is the InChIKey of [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride?
The InChIKey is UFZWSWCGKJQBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c10-5-9-6-11-7-12(9)8-1-3-13-4-2-8;/h6-8H,1-5,10H2;1H.
What are the key properties of [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride?
[3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)imidazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 131637564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).