N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine

C17H27N3O — CID 63107484

IUPACN-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
SMILESCCCCOCCNCCn1c(CC)nc2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-5-13-21-14-11-18-10-12-20-16-9-7-6-8-15(16)19-17(20)4-2/h6-9,18H,3-5,10-14H2,1-2H3
InChIKeyJHHIXMPQQDKAJW-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.01
Rot. Bonds10

About N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine

N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine (PubChem CID 63107484) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
PubChem CID63107484
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine
SMILESCCCCOCCNCCn1c(CC)nc2ccccc21
InChIInChI=1S/C17H27N3O/c1-3-5-13-21-14-11-18-10-12-20-16-9-7-6-8-15(16)19-17(20)4-2/h6-9,18H,3-5,10-14H2,1-2H3
InChIKeyJHHIXMPQQDKAJW-UHFFFAOYSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.01
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-(2-ethoxyethyl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115971123
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
N-[2-(2-ethylbenzimidazol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 63106194
1-[2-(2-chloroethoxy)ethyl]-2-ethylbenzimidazole
CID 63664998
N-(2-methoxyethyl)-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 115970736
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
N-[3-(2-ethylbenzimidazol-1-yl)propyl]aniline
CID 63105255
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine (CID 63107484) is N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine is CCCCOCCNCCn1c(CC)nc2ccccc21.
What is the InChIKey of N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine?
The InChIKey is JHHIXMPQQDKAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-5-13-21-14-11-18-10-12-20-16-9-7-6-8-15(16)19-17(20)4-2/h6-9,18H,3-5,10-14H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine?
N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine has a molecular weight of 289.42 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(2-ethylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 63107484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).