N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine

C12H21N3O — CID 106572421

IUPACN-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-10(2)15-6-5-13-12(15)14-9-11-3-7-16-8-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyMZOFOBNILLVDJV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine

N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106572421) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106572421
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1NCC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-10(2)15-6-5-13-12(15)14-9-11-3-7-16-8-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyMZOFOBNILLVDJV-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628
N-(cyclopropylmethyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106555195
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033626
N-(1,4-dithian-2-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106580111
N-(2-cyclohexylethyl)-1-propan-2-ylimidazol-2-amine
CID 106563351
1-[1-(oxan-4-ylmethylamino)propan-2-yl]imidazole-2-carboxamide
CID 173084960
2-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446353
1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
CID 106582648
1-(1-methoxypropan-2-yl)-N-(oxan-2-ylmethyl)imidazol-2-amine
CID 106563876
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine (CID 106572421) is N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1ccnc1NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is MZOFOBNILLVDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15-6-5-13-12(15)14-9-11-3-7-16-8-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine?
N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106572421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).