N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

C13H24N4 — CID 63292117

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NCc1nccn1C)C1CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-11(12-4-7-16(2)8-5-12)15-10-13-14-6-9-17(13)3/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3
InChIKeyNYYCBUOXDHLULZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.24
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 63292117) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID63292117
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCC(NCc1nccn1C)C1CCN(C)CC1
InChIInChI=1S/C13H24N4/c1-11(12-4-7-16(2)8-5-12)15-10-13-14-6-9-17(13)3/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3
InChIKeyNYYCBUOXDHLULZ-UHFFFAOYSA-N
XLogP1.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
1-(1-methylpiperidin-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895654
1-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 64918015
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094
N-ethyl-1-[1-(1-methylimidazol-2-yl)piperidin-4-yl]ethanamine
CID 55256485
1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 54901970
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 61215311
N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 63292117) is N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is CC(NCc1nccn1C)C1CCN(C)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is NYYCBUOXDHLULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(12-4-7-16(2)8-5-12)15-10-13-14-6-9-17(13)3/h6,9,11-12,15H,4-5,7-8,10H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 63292117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).