N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine

C13H25N3O — CID 62562131

IUPACN-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine
SMILESCOCCCNCC(C)n1ccnc1C(C)C
InChIInChI=1S/C13H25N3O/c1-11(2)13-15-7-8-16(13)12(3)10-14-6-5-9-17-4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyQUOGABHSXLZVKO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds8

About N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine

N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine (PubChem CID 62562131) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine
PubChem CID62562131
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine
SMILESCOCCCNCC(C)n1ccnc1C(C)C
InChIInChI=1S/C13H25N3O/c1-11(2)13-15-7-8-16(13)12(3)10-14-6-5-9-17-4/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyQUOGABHSXLZVKO-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine (CID 62562131) is N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine is COCCCNCC(C)n1ccnc1C(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine?
The InChIKey is QUOGABHSXLZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)13-15-7-8-16(13)12(3)10-14-6-5-9-17-4/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine?
N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 62562131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).