N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine

C15H22N4 — CID 115244333

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCn1cnc2cc(CCNCC3(CN)CC3)ccc21
InChIInChI=1S/C15H22N4/c1-19-11-18-13-8-12(2-3-14(13)19)4-7-17-10-15(9-16)5-6-15/h2-3,8,11,17H,4-7,9-10,16H2,1H3
InChIKeyCGZIMXLDYDRCSE-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.44
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine (PubChem CID 115244333) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
PubChem CID115244333
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCn1cnc2cc(CCNCC3(CN)CC3)ccc21
InChIInChI=1S/C15H22N4/c1-19-11-18-13-8-12(2-3-14(13)19)4-7-17-10-15(9-16)5-6-15/h2-3,8,11,17H,4-7,9-10,16H2,1H3
InChIKeyCGZIMXLDYDRCSE-UHFFFAOYSA-N
XLogP1.44
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[[(1-methylbenzimidazol-5-yl)methylamino]methyl]cyclopropyl]methanol
CID 115243491
[2-(1-methylbenzimidazol-5-yl)ethylamino]methanol
CID 115229361
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-methylbenzimidazol-5-amine
CID 115245633
2-[2-(1-methylbenzimidazol-5-yl)ethylamino]ethanethiol
CID 115224269
N-ethyl-N'-[2-(1-methylbenzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115206036
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3,4-dimethylphenyl)ethanamine
CID 115245892
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115244272
3-amino-2-hydroxy-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115180781
(E)-4-[2-(1-methylbenzimidazol-5-yl)ethylamino]but-2-enoic acid
CID 115237307

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine (CID 115244333) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine is Cn1cnc2cc(CCNCC3(CN)CC3)ccc21.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine?
The InChIKey is CGZIMXLDYDRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19-11-18-13-8-12(2-3-14(13)19)4-7-17-10-15(9-16)5-6-15/h2-3,8,11,17H,4-7,9-10,16H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine has a molecular weight of 258.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1-methylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 115244333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).