N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine

C10H17N3O — CID 63001272

IUPACN-[(3-methylimidazol-4-yl)methyl]oxan-4-amine
SMILESCn1cncc1CNC1CCOCC1
InChIInChI=1S/C10H17N3O/c1-13-8-11-6-10(13)7-12-9-2-4-14-5-3-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyXLZKUCMULQYBCU-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.69
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine

N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine (PubChem CID 63001272) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]oxan-4-amine
PubChem CID63001272
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]oxan-4-amine
SMILESCn1cncc1CNC1CCOCC1
InChIInChI=1S/C10H17N3O/c1-13-8-11-6-10(13)7-12-9-2-4-14-5-3-9/h6,8-9,12H,2-5,7H2,1H3
InChIKeyXLZKUCMULQYBCU-UHFFFAOYSA-N
XLogP0.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-(1,4-dimethylimidazol-2-yl)oxy-N,N-dimethylbutan-2-amine
CID 71716729
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
2-[(4-methylpiperazin-1-yl)methyl]-7-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467462
N-((1-methyl-1H-imidazol-5-yl)methyl)cyclopropanamine
CID 62998420
4-{[1-(3-methoxypropyl)-5-methyl-1H-imidazol-2-yl]methyl}piperidine
CID 86820593
4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
2-{4-[(1-isopropyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}-N-methylacetamide
CID 77085402

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine (CID 63001272) is N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine is Cn1cncc1CNC1CCOCC1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
The InChIKey is XLZKUCMULQYBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-8-11-6-10(13)7-12-9-2-4-14-5-3-9/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine?
N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine has a molecular weight of 195.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 63001272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).