N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine

C14H20N4 — CID 115245633

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCC3(CN)CCC3)ccc21
InChIInChI=1S/C14H20N4/c1-18-10-17-12-7-11(3-4-13(12)18)16-9-14(8-15)5-2-6-14/h3-4,7,10,16H,2,5-6,8-9,15H2,1H3
InChIKeyRLYFRETVLJSVEU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.11
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine

N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine (PubChem CID 115245633) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
PubChem CID115245633
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
SMILESCn1cnc2cc(NCC3(CN)CCC3)ccc21
InChIInChI=1S/C14H20N4/c1-18-10-17-12-7-11(3-4-13(12)18)16-9-14(8-15)5-2-6-14/h3-4,7,10,16H,2,5-6,8-9,15H2,1H3
InChIKeyRLYFRETVLJSVEU-UHFFFAOYSA-N
XLogP2.11
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115244333
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386537
[1-(aminomethyl)cyclobutyl]-(1-methylbenzimidazol-5-yl)methanone
CID 116921662
[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)amino]propan-1-ol
CID 115135155
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylpyrazol-4-amine
CID 103568795
[1-[[(1,2-dimethylbenzimidazol-5-yl)amino]methyl]cyclobutyl]methanol
CID 115246752
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclobutyl]methanol
CID 116944232
(1-methylbenzimidazol-5-yl)urea
CID 12521213
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine (CID 115245633) is N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine is Cn1cnc2cc(NCC3(CN)CCC3)ccc21.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine?
The InChIKey is RLYFRETVLJSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18-10-17-12-7-11(3-4-13(12)18)16-9-14(8-15)5-2-6-14/h3-4,7,10,16H,2,5-6,8-9,15H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 115245633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).