N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

C12H21N3O — CID 66135493

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCCn1cncc1CNCC1CCCCO1
InChIInChI=1S/C12H21N3O/c1-2-15-10-14-8-11(15)7-13-9-12-5-3-4-6-16-12/h8,10,12-13H,2-7,9H2,1H3
InChIKeyQBEKMNQWRYBZMP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 66135493) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID66135493
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCCn1cncc1CNCC1CCCCO1
InChIInChI=1S/C12H21N3O/c1-2-15-10-14-8-11(15)7-13-9-12-5-3-4-6-16-12/h8,10,12-13H,2-7,9H2,1H3
InChIKeyQBEKMNQWRYBZMP-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66133237
2-cyclohexyl-N-[(3-ethylimidazol-4-yl)methyl]ethanamine
CID 66135055
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106123181
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79578829
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79605409
2-(3-ethylimidazol-4-yl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 66134514
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine (CID 66135493) is N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is CCn1cncc1CNCC1CCCCO1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is QBEKMNQWRYBZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-10-14-8-11(15)7-13-9-12-5-3-4-6-16-12/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 66135493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).