[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine

C10H17N3O — CID 66149687

IUPAC[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1CC1CCCOC1
InChIInChI=1S/C10H17N3O/c11-4-10-5-12-8-13(10)6-9-2-1-3-14-7-9/h5,8-9H,1-4,6-7,11H2
InChIKeyOEEASAZMVCNEQW-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.77
Rot. Bonds3

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

[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine (PubChem CID 66149687) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine
PubChem CID66149687
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine
SMILESNCc1cncn1CC1CCCOC1
InChIInChI=1S/C10H17N3O/c11-4-10-5-12-8-13(10)6-9-2-1-3-14-7-9/h5,8-9H,1-4,6-7,11H2
InChIKeyOEEASAZMVCNEQW-UHFFFAOYSA-N
XLogP0.77
TPSA53.07 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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(cyclobutylmethyl)imidazol-4-yl]methanamine
CID 66148597
(1S)-1-[3-(oxan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942562
2-[3-(oxan-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 114704890
(1R)-1-[3-(oxolan-3-ylmethyl)imidazol-4-yl]ethanamine
CID 104942924
[3-(cyclobutylmethyl)imidazol-4-yl]methanol
CID 66150823
[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methanamine
CID 79078229
[3-(oxetan-3-yl)imidazol-4-yl]methanamine
CID 84731290
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
CID 114719966
4-bromo-1-(oxan-3-ylmethyl)pyrazol-3-amine
CID 165473968
4-(chloromethyl)-1-(oxan-3-ylmethyl)imidazole
CID 130482826
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine (CID 66149687) is [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine is NCc1cncn1CC1CCCOC1.
What is the InChIKey of [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine?
The InChIKey is OEEASAZMVCNEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-4-10-5-12-8-13(10)6-9-2-1-3-14-7-9/h5,8-9H,1-4,6-7,11H2.
What are the key properties of [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine?
[3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-3-ylmethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 66149687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).