N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine

C12H21N3O — CID 66152227

IUPACN-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1C1CCCOC1
InChIInChI=1S/C12H21N3O/c1-10(2)14-7-12-6-13-9-15(12)11-4-3-5-16-8-11/h6,9-11,14H,3-5,7-8H2,1-2H3
InChIKeyZYXKURUMJWWKNP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds4

About N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66152227) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66152227
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1C1CCCOC1
InChIInChI=1S/C12H21N3O/c1-10(2)14-7-12-6-13-9-15(12)11-4-3-5-16-8-11/h6,9-11,14H,3-5,7-8H2,1-2H3
InChIKeyZYXKURUMJWWKNP-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226
2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
N-[[3-(3-ethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150176
N-[[3-(3,5-dimethylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152248
N-[[3-(2-methylcyclopentyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151196
2-methoxy-N-[[3-(oxolan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 80714864
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 66162293
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549

Frequently Asked Questions

What is the IUPAC name of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine (CID 66152227) is N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1C1CCCOC1.
What is the InChIKey of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is ZYXKURUMJWWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)14-7-12-6-13-9-15(12)11-4-3-5-16-8-11/h6,9-11,14H,3-5,7-8H2,1-2H3.
What are the key properties of N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66152227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).