N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine

C14H21N3 — CID 98783912

IUPACN-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCCNCCCc1ccc2nc(CC)[nH]c2c1
InChIInChI=1S/C14H21N3/c1-3-14-16-12-8-7-11(10-13(12)17-14)6-5-9-15-4-2/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeySUTPDWGOQKHBDD-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine

N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine (PubChem CID 98783912) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
PubChem CID98783912
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCCNCCCc1ccc2nc(CC)[nH]c2c1
InChIInChI=1S/C14H21N3/c1-3-14-16-12-8-7-11(10-13(12)17-14)6-5-9-15-4-2/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)
InChIKeySUTPDWGOQKHBDD-UHFFFAOYSA-N
XLogP2.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337145
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]cyclobutanamine
CID 82495000
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine (CID 98783912) is N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine is CCNCCCc1ccc2nc(CC)[nH]c2c1.
What is the InChIKey of N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine?
The InChIKey is SUTPDWGOQKHBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-14-16-12-8-7-11(10-13(12)17-14)6-5-9-15-4-2/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine?
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 98783912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).