N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine

C17H26N4 — CID 70865779

IUPACN-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
SMILESCCn1c(CCN(C)C2CCC2)nc2cc(CN)ccc21
InChIInChI=1S/C17H26N4/c1-3-21-16-8-7-13(12-18)11-15(16)19-17(21)9-10-20(2)14-5-4-6-14/h7-8,11,14H,3-6,9-10,12,18H2,1-2H3
InChIKeyYOSGACLXKZCRPH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.54
Rot. Bonds6

About N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine

N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine (PubChem CID 70865779) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
PubChem CID70865779
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
SMILESCCn1c(CCN(C)C2CCC2)nc2cc(CN)ccc21
InChIInChI=1S/C17H26N4/c1-3-21-16-8-7-13(12-18)11-15(16)19-17(21)9-10-20(2)14-5-4-6-14/h7-8,11,14H,3-6,9-10,12,18H2,1-2H3
InChIKeyYOSGACLXKZCRPH-UHFFFAOYSA-N
XLogP2.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-ethyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
CID 70865776
[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
[1-ethyl-2-(oxolan-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65159867
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
N-[2-[1-ethyl-5-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]benzimidazol-2-yl]ethyl]-N-methylcyclobutanamine
CID 70865711
[1-ethyl-2-(1-methylcyclohexyl)benzimidazol-5-yl]methanamine
CID 106829194
[1-ethyl-2-(3-methylbutan-2-yl)benzimidazol-5-yl]methanamine
CID 65038202
(1-cyclopropyl-2-pentylbenzimidazol-5-yl)methanamine
CID 65037611
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The IUPAC name of N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine (CID 70865779) is N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine.
What is the SMILES notation for N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The canonical SMILES for N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine is CCn1c(CCN(C)C2CCC2)nc2cc(CN)ccc21.
What is the InChIKey of N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
The InChIKey is YOSGACLXKZCRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-21-16-8-7-13(12-18)11-15(16)19-17(21)9-10-20(2)14-5-4-6-14/h7-8,11,14H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine?
N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine has a molecular weight of 286.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(aminomethyl)-1-ethylbenzimidazol-2-yl]ethyl]-N-methylcyclobutanamine is sourced from PubChem (CID 70865779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).