N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine

C9H17N3 — CID 46784352

IUPACN-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nccn1CC
InChIInChI=1S/C9H17N3/c1-3-5-10-8-9-11-6-7-12(9)4-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyWBVQLICVGFZTOJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.40
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 46784352) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
PubChem CID46784352
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nccn1CC
InChIInChI=1S/C9H17N3/c1-3-5-10-8-9-11-6-7-12(9)4-2/h6-7,10H,3-5,8H2,1-2H3
InChIKeyWBVQLICVGFZTOJ-UHFFFAOYSA-N
XLogP1.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.40
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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Related Compounds

N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-[(1-ethylimidazol-2-yl)methyl]pent-3-yn-1-amine
CID 116642955
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
N-[(1-ethylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62350841
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 62351528
2-cyclohexyl-N-[(1-ethylimidazol-2-yl)methyl]ethanamine
CID 55064443
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine (CID 46784352) is N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine is CCCNCc1nccn1CC.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is WBVQLICVGFZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-5-10-8-9-11-6-7-12(9)4-2/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine?
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 46784352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).