2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C13H25N3 — CID 63109067

IUPAC2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)CCc1ncc(CNC(C)(C)C)[nH]1
InChIInChI=1S/C13H25N3/c1-10(2)6-7-12-14-8-11(16-12)9-15-13(3,4)5/h8,10,15H,6-7,9H2,1-5H3,(H,14,16)
InChIKeyCVHUMBOKQPNKRE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109067) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109067
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)CCc1ncc(CNC(C)(C)C)[nH]1
InChIInChI=1S/C13H25N3/c1-10(2)6-7-12-14-8-11(16-12)9-15-13(3,4)5/h8,10,15H,6-7,9H2,1-5H3,(H,14,16)
InChIKeyCVHUMBOKQPNKRE-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109067) is 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)CCc1ncc(CNC(C)(C)C)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is CVHUMBOKQPNKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)6-7-12-14-8-11(16-12)9-15-13(3,4)5/h8,10,15H,6-7,9H2,1-5H3,(H,14,16).
What are the key properties of 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).