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

C10H19N3 — CID 63108587

IUPACN-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(CCC)[nH]1
InChIInChI=1S/C10H19N3/c1-3-5-10-12-8-9(13-10)7-11-6-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyARLLGSFWAUSRKW-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds6

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

N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine (PubChem CID 63108587) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
PubChem CID63108587
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCCCNCc1cnc(CCC)[nH]1
InChIInChI=1S/C10H19N3/c1-3-5-10-12-8-9(13-10)7-11-6-4-2/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyARLLGSFWAUSRKW-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine (CID 63108587) is N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine is CCCNCc1cnc(CCC)[nH]1.
What is the InChIKey of N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine?
The InChIKey is ARLLGSFWAUSRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-10-12-8-9(13-10)7-11-6-4-2/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine?
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63108587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).