1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine

C14H20N4O — CID 116959619

IUPAC1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
SMILESCNC(c1ccc2c(c1)ncn2C)C1(CN)COC1
InChIInChI=1S/C14H20N4O/c1-16-13(14(6-15)7-19-8-14)10-3-4-12-11(5-10)17-9-18(12)2/h3-5,9,13,16H,6-8,15H2,1-2H3
InChIKeyQEGFGYDDZOMTCV-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.81
Rot. Bonds4

About 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine

1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine (PubChem CID 116959619) 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-(1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
PubChem CID116959619
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine
SMILESCNC(c1ccc2c(c1)ncn2C)C1(CN)COC1
InChIInChI=1S/C14H20N4O/c1-16-13(14(6-15)7-19-8-14)10-3-4-12-11(5-10)17-9-18(12)2/h3-5,9,13,16H,6-8,15H2,1-2H3
InChIKeyQEGFGYDDZOMTCV-UHFFFAOYSA-N
XLogP0.81
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116959618
N-methyl-1-[3-(1-methylbenzimidazol-5-yl)oxetan-3-yl]methanamine
CID 116869297
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
2-amino-3-(methylamino)-3-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 116957549
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
2-(methylamino)-2-(1-methylbenzimidazol-5-yl)acetaldehyde
CID 116954228
N,3-dimethyl-2-(1-methylbenzimidazol-5-yl)butan-1-amine
CID 116964360
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
CID 116949485
[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
CID 116944982
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine (CID 116959619) is 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine is CNC(c1ccc2c(c1)ncn2C)C1(CN)COC1.
What is the InChIKey of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is QEGFGYDDZOMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16-13(14(6-15)7-19-8-14)10-3-4-12-11(5-10)17-9-18(12)2/h3-5,9,13,16H,6-8,15H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine?
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 116959619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).