1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine

C14H20N4O — CID 116959618

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCNC(c1ccc2nc(C)[nH]c2c1)C1(CN)COC1
InChIInChI=1S/C14H20N4O/c1-9-17-11-4-3-10(5-12(11)18-9)13(16-2)14(6-15)7-19-8-14/h3-5,13,16H,6-8,15H2,1-2H3,(H,17,18)
InChIKeyJTAKBVMSDHJOEY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.11
Rot. Bonds4

About 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine

1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 116959618) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID116959618
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCNC(c1ccc2nc(C)[nH]c2c1)C1(CN)COC1
InChIInChI=1S/C14H20N4O/c1-9-17-11-4-3-10(5-12(11)18-9)13(16-2)14(6-15)7-19-8-14/h3-5,13,16H,6-8,15H2,1-2H3,(H,17,18)
InChIKeyJTAKBVMSDHJOEY-UHFFFAOYSA-N
XLogP1.11
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116944980
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
CID 116959619
methylamino-(2-methyl-3H-benzimidazol-5-yl)methanol
CID 116954709
1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869870
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116872295
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
CID 116870353
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 116959618) is 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is CNC(c1ccc2nc(C)[nH]c2c1)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is JTAKBVMSDHJOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-17-11-4-3-10(5-12(11)18-9)13(16-2)14(6-15)7-19-8-14/h3-5,13,16H,6-8,15H2,1-2H3,(H,17,18).
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 116959618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).