1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine

C13H25N3O — CID 66162188

IUPAC1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
SMILESCCCC(COC)NCc1cncn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-12(9-17-4)15-8-13-7-14-10-16(13)11(2)3/h7,10-12,15H,5-6,8-9H2,1-4H3
InChIKeyPPIDQPOAQGOUSI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds8

About 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine

1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine (PubChem CID 66162188) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
PubChem CID66162188
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
SMILESCCCC(COC)NCc1cncn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-12(9-17-4)15-8-13-7-14-10-16(13)11(2)3/h7,10-12,15H,5-6,8-9H2,1-4H3
InChIKeyPPIDQPOAQGOUSI-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
3-[(3-propan-2-ylimidazol-4-yl)methylamino]pentanenitrile
CID 66162579
N-[(3-propan-2-ylimidazol-4-yl)methyl]hex-1-yn-3-amine
CID 106227160
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
CID 66131081
1-propan-2-yl-5-propylimidazole
CID 139308338
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methoxypentan-2-amine
CID 79578579
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
2-[3-(1-methoxypentan-2-yl)imidazol-4-yl]ethanamine
CID 114720833

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine?
The IUPAC name of 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine (CID 66162188) is 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine?
The canonical SMILES for 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine is CCCC(COC)NCc1cncn1C(C)C.
What is the InChIKey of 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine?
The InChIKey is PPIDQPOAQGOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-12(9-17-4)15-8-13-7-14-10-16(13)11(2)3/h7,10-12,15H,5-6,8-9H2,1-4H3.
What are the key properties of 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine?
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine is sourced from PubChem (CID 66162188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).