1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine

C10H19N3O — CID 116732160

IUPAC1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(OC)C(C)C)[nH]1
InChIInChI=1S/C10H19N3O/c1-7(2)9(14-4)10-12-6-8(13-10)5-11-3/h6-7,9,11H,5H2,1-4H3,(H,12,13)
InChIKeyKXGJQHHKANFJGL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds5

About 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 116732160) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID116732160
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(C(OC)C(C)C)[nH]1
InChIInChI=1S/C10H19N3O/c1-7(2)9(14-4)10-12-6-8(13-10)5-11-3/h6-7,9,11H,5H2,1-4H3,(H,12,13)
InChIKeyKXGJQHHKANFJGL-UHFFFAOYSA-N
XLogP1.47
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 116732160) is 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1cnc(C(OC)C(C)C)[nH]1.
What is the InChIKey of 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is KXGJQHHKANFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)9(14-4)10-12-6-8(13-10)5-11-3/h6-7,9,11H,5H2,1-4H3,(H,12,13).
What are the key properties of 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 116732160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).