N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride

C14H23Cl3N4 — CID 155702903

IUPACN-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCc1cn2cc(CNCC3CCC3)ccc2n1
InChIInChI=1S/C14H20N4.3ClH/c15-6-13-10-18-9-12(4-5-14(18)17-13)8-16-7-11-2-1-3-11;;;/h4-5,9-11,16H,1-3,6-8,15H2;3*1H
InChIKeyCROSJLFALHZROS-UHFFFAOYSA-N
MW353.73 g/mol
LogP2.95
Rot. Bonds5

About N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride

N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride (PubChem CID 155702903) has the molecular formula C14H23Cl3N4 and a molecular weight of 353.73 g/mol. Its IUPAC name is N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride.

Molecular Properties

Compound NameN-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride
PubChem CID155702903
Molecular FormulaC14H23Cl3N4
Molecular Weight353.73 g/mol
Exact Mass352.10
IUPAC NameN-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCc1cn2cc(CNCC3CCC3)ccc2n1
InChIInChI=1S/C14H20N4.3ClH/c15-6-13-10-18-9-12(4-5-14(18)17-13)8-16-7-11-2-1-3-11;;;/h4-5,9-11,16H,1-3,6-8,15H2;3*1H
InChIKeyCROSJLFALHZROS-UHFFFAOYSA-N
XLogP2.95
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride with MolForge

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Related Compounds

tert-butyl N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]carbamate
CID 155167651
N-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 163239121
2-(aminomethyl)-N-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 155191130
2-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-methoxy-2,7-naphthyridin-1-one
CID 171801805
1-cyclobutyl-N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 171084244
1-cyclobutyl-N-[[2-[[4-(3H-pyrrolo[2,3-c]pyridin-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 177373572
(Z)-2-[amino-[[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]amino]-1-(6-iodo-1H-indazol-4-yl)ethenamine
CID 176815749
N-[[6-[(cyclohexylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-carboxamide
CID 155884492
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-[1-[6-[(cyclobutylmethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]ethyl]-5-(dimethylamino)pyridine-3-carboxamide
CID 171084438
1-cyclobutyl-N-[[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine;[2-[[4-(6-fluoro-1H-indazol-4-yl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
CID 155167611
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride?
The IUPAC name of N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride (CID 155702903) is N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride.
What is the SMILES notation for N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride?
The canonical SMILES for N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride is Cl.Cl.Cl.NCc1cn2cc(CNCC3CCC3)ccc2n1.
What is the InChIKey of N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride?
The InChIKey is CROSJLFALHZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4.3ClH/c15-6-13-10-18-9-12(4-5-14(18)17-13)8-16-7-11-2-1-3-11;;;/h4-5,9-11,16H,1-3,6-8,15H2;3*1H.
What are the key properties of N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride?
N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride has a molecular weight of 353.73 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-1-cyclobutylmethanamine;trihydrochloride is sourced from PubChem (CID 155702903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).