N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine

C13H26N4 — CID 62223037

IUPACN-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCN(CC)CC
InChIInChI=1S/C13H26N4/c1-4-7-14-12-13-15-8-9-17(13)11-10-16(5-2)6-3/h8-9,14H,4-7,10-12H2,1-3H3
InChIKeyFOXGMTSMWJSMLI-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.72
Rot. Bonds9

About N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine

N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 62223037) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID62223037
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1CCN(CC)CC
InChIInChI=1S/C13H26N4/c1-4-7-14-12-13-15-8-9-17(13)11-10-16(5-2)6-3/h8-9,14H,4-7,10-12H2,1-3H3
InChIKeyFOXGMTSMWJSMLI-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.72
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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Related Compounds

N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
1-[2-(diethylamino)ethyl]-N-propylimidazol-2-amine
CID 106555282
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717653
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine (CID 62223037) is N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1CCN(CC)CC.
What is the InChIKey of N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is FOXGMTSMWJSMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-7-14-12-13-15-8-9-17(13)11-10-16(5-2)6-3/h8-9,14H,4-7,10-12H2,1-3H3.
What are the key properties of N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62223037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).