3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine

C10H19N3 — CID 83875884

IUPAC3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
SMILESCC(C)Cn1cncc1CCCN
InChIInChI=1S/C10H19N3/c1-9(2)7-13-8-12-6-10(13)4-3-5-11/h6,8-9H,3-5,7,11H2,1-2H3
InChIKeyVWZVWVYSYJUANV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.43
Rot. Bonds5

About 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine

3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine (PubChem CID 83875884) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
PubChem CID83875884
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
SMILESCC(C)Cn1cncc1CCCN
InChIInChI=1S/C10H19N3/c1-9(2)7-13-8-12-6-10(13)4-3-5-11/h6,8-9H,3-5,7,11H2,1-2H3
InChIKeyVWZVWVYSYJUANV-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
CID 114720425
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
[3-(2-methoxypropyl)imidazol-4-yl]methanamine
CID 102701711
4,6-dimethyl-2-[[3-(2-methylpropyl)imidazol-4-yl]methylsulfanyl]pyrimidine
CID 90718156
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
CID 114719540
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
[3-(2-ethylhexyl)imidazol-4-yl]methanamine
CID 107818806
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine (CID 83875884) is 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine is CC(C)Cn1cncc1CCCN.
What is the InChIKey of 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
The InChIKey is VWZVWVYSYJUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)7-13-8-12-6-10(13)4-3-5-11/h6,8-9H,3-5,7,11H2,1-2H3.
What are the key properties of 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine?
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 83875884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).