3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine

C10H19N3 — CID 114995817

IUPAC3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cnc(CCCNC(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)11-6-4-5-10-12-7-9(3)13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFCGGNQKGMAETPB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.65
Rot. Bonds5

About 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine

3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 114995817) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
PubChem CID114995817
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1cnc(CCCNC(C)C)[nH]1
InChIInChI=1S/C10H19N3/c1-8(2)11-6-4-5-10-12-7-9(3)13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFCGGNQKGMAETPB-UHFFFAOYSA-N
XLogP1.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide
CID 59286194
3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744746
5-methyl-2-octyl-1H-imidazole;hydrate
CID 172776370
N-[2-(5-propyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 114998586
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-N-propan-2-ylpropan-1-amine
CID 81137710
3-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849760
3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851877
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
2-[3-(propan-2-ylamino)propyl]-3H-benzimidazol-5-ol
CID 81431647
3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60849764

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine (CID 114995817) is 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine is Cc1cnc(CCCNC(C)C)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is FCGGNQKGMAETPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)11-6-4-5-10-12-7-9(3)13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine?
3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114995817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).