3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C14H25N5 — CID 63014975

IUPAC3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(Cc1nccn1C)C1(CN)CN2CCC1CC2
InChIInChI=1S/C14H25N5/c1-17-8-5-16-13(17)9-18(2)14(10-15)11-19-6-3-12(14)4-7-19/h5,8,12H,3-4,6-7,9-11,15H2,1-2H3
InChIKeyYXFMKYZQGMZUGU-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.28
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 63014975) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID63014975
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(Cc1nccn1C)C1(CN)CN2CCC1CC2
InChIInChI=1S/C14H25N5/c1-17-8-5-16-13(17)9-18(2)14(10-15)11-19-6-3-12(14)4-7-19/h5,8,12H,3-4,6-7,9-11,15H2,1-2H3
InChIKeyYXFMKYZQGMZUGU-UHFFFAOYSA-N
XLogP0.28
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

1-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 65045219
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55013908
1-(aminomethyl)-2-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 106872482
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81467993
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65088232
4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 65074993
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 63014975) is 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is CN(Cc1nccn1C)C1(CN)CN2CCC1CC2.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is YXFMKYZQGMZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-17-8-5-16-13(17)9-18(2)14(10-15)11-19-6-3-12(14)4-7-19/h5,8,12H,3-4,6-7,9-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 263.39 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 63014975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).