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

C15H22N4 — CID 115244245

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(CN(C)CC3(CN)CC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-11-17-13-4-3-12(7-14(13)18-11)8-19(2)10-15(9-16)5-6-15/h3-4,7H,5-6,8-10,16H2,1-2H3,(H,17,18)
InChIKeyIOFPASOBGDFRGL-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.04
Rot. Bonds5

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

N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 115244245) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID115244245
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(CN(C)CC3(CN)CC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-11-17-13-4-3-12(7-14(13)18-11)8-19(2)10-15(9-16)5-6-15/h3-4,7H,5-6,8-10,16H2,1-2H3,(H,17,18)
InChIKeyIOFPASOBGDFRGL-UHFFFAOYSA-N
XLogP2.04
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
CID 115250935
2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
CID 116930917
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242286
3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine
CID 117040485
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-phenylmethanamine
CID 82171579
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 115244245) is N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is Cc1nc2ccc(CN(C)CC3(CN)CC3)cc2[nH]1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is IOFPASOBGDFRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-17-13-4-3-12(7-14(13)18-11)8-19(2)10-15(9-16)5-6-15/h3-4,7H,5-6,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 115244245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).