N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine

C9H19N3 — CID 166698374

IUPACN-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine
SMILESCCNCCCN1CCN=C1C
InChIInChI=1S/C9H19N3/c1-3-10-5-4-7-12-8-6-11-9(12)2/h10H,3-8H2,1-2H3
InChIKeyYACBVDNSBCOOBO-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.72
Rot. Bonds5

About N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine

N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine (PubChem CID 166698374) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine
PubChem CID166698374
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine
SMILESCCNCCCN1CCN=C1C
InChIInChI=1S/C9H19N3/c1-3-10-5-4-7-12-8-6-11-9(12)2/h10H,3-8H2,1-2H3
InChIKeyYACBVDNSBCOOBO-UHFFFAOYSA-N
XLogP0.72
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine (CID 166698374) is N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine is CCNCCCN1CCN=C1C.
What is the InChIKey of N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
The InChIKey is YACBVDNSBCOOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-10-5-4-7-12-8-6-11-9(12)2/h10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine?
N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 166698374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).