N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine

C17H25N3 — CID 62549303

IUPACN-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H25N3/c1-5-6-18-11-17-19-7-8-20(17)12-16-14(3)9-13(2)10-15(16)4/h7-10,18H,5-6,11-12H2,1-4H3
InChIKeyYFSKDSFWSVZAFA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.36
Rot. Bonds6

About N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine

N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 62549303) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID62549303
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C17H25N3/c1-5-6-18-11-17-19-7-8-20(17)12-16-14(3)9-13(2)10-15(16)4/h7-10,18H,5-6,11-12H2,1-4H3
InChIKeyYFSKDSFWSVZAFA-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.36
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-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 62549303) is N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is YFSKDSFWSVZAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-6-18-11-17-19-7-8-20(17)12-16-14(3)9-13(2)10-15(16)4/h7-10,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62549303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).