N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine

C8H15N3 — CID 55266162

IUPACN-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine
SMILESCNCc1nccn1C(C)C
InChIInChI=1S/C8H15N3/c1-7(2)11-5-4-10-8(11)6-9-3/h4-5,7,9H,6H2,1-3H3
InChIKeyJSWBGXYBVHMUMZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.18
Rot. Bonds3

About N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine

N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine (PubChem CID 55266162) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine
PubChem CID55266162
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine
SMILESCNCc1nccn1C(C)C
InChIInChI=1S/C8H15N3/c1-7(2)11-5-4-10-8(11)6-9-3/h4-5,7,9H,6H2,1-3H3
InChIKeyJSWBGXYBVHMUMZ-UHFFFAOYSA-N
XLogP1.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine (CID 55266162) is N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine is CNCc1nccn1C(C)C.
What is the InChIKey of N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine?
The InChIKey is JSWBGXYBVHMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)11-5-4-10-8(11)6-9-3/h4-5,7,9H,6H2,1-3H3.
What are the key properties of N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine?
N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine has a molecular weight of 153.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propan-2-ylimidazol-2-yl)methanamine is sourced from PubChem (CID 55266162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).