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

C13H25N3 — CID 63109571

IUPAC2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CCc1ncc(CNCC(C)C)[nH]1
InChIInChI=1S/C13H25N3/c1-10(2)5-6-13-15-9-12(16-13)8-14-7-11(3)4/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZPEKECCSAHRZKJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.74
Rot. Bonds7

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

2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine (PubChem CID 63109571) 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-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
PubChem CID63109571
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CCc1ncc(CNCC(C)C)[nH]1
InChIInChI=1S/C13H25N3/c1-10(2)5-6-13-15-9-12(16-13)8-14-7-11(3)4/h9-11,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZPEKECCSAHRZKJ-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.74
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-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine (CID 63109571) is 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine is CC(C)CCc1ncc(CNCC(C)C)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZPEKECCSAHRZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)5-6-13-15-9-12(16-13)8-14-7-11(3)4/h9-11,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.74, 7 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-1-amine is sourced from PubChem (CID 63109571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).