2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine

C10H19N3 — CID 62741392

IUPAC2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cnc(C)[nH]1
InChIInChI=1S/C10H19N3/c1-5-10(3,4)12-7-9-6-11-8(2)13-9/h6,12H,5,7H2,1-4H3,(H,11,13)
InChIKeyZDSBTVPQVGZNOU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine

2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine (PubChem CID 62741392) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine
PubChem CID62741392
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cnc(C)[nH]1
InChIInChI=1S/C10H19N3/c1-5-10(3,4)12-7-9-6-11-8(2)13-9/h6,12H,5,7H2,1-4H3,(H,11,13)
InChIKeyZDSBTVPQVGZNOU-UHFFFAOYSA-N
XLogP2.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine (CID 62741392) is 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine is CCC(C)(C)NCc1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine?
The InChIKey is ZDSBTVPQVGZNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-10(3,4)12-7-9-6-11-8(2)13-9/h6,12H,5,7H2,1-4H3,(H,11,13).
What are the key properties of 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine?
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]butan-2-amine is sourced from PubChem (CID 62741392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).