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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Related Compounds

2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109581
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65140493
2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109614
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66065335
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79973863
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605
5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904711

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).