N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine

C14H26N4 — CID 106639131

IUPACN-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(CCn1ccnc1C)CC1CCCNC1
InChIInChI=1S/C14H26N4/c1-3-17(12-14-5-4-6-15-11-14)9-10-18-8-7-16-13(18)2/h7-8,14-15H,3-6,9-12H2,1-2H3
InChIKeyAJTTZISZIYLSEG-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.51
Rot. Bonds6

About N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine

N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 106639131) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID106639131
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(CCn1ccnc1C)CC1CCCNC1
InChIInChI=1S/C14H26N4/c1-3-17(12-14-5-4-6-15-11-14)9-10-18-8-7-16-13(18)2/h7-8,14-15H,3-6,9-12H2,1-2H3
InChIKeyAJTTZISZIYLSEG-UHFFFAOYSA-N
XLogP1.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-amine
CID 54961313
N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638421
N-ethyl-N-[2-(2-methylimidazol-1-yl)ethyl]azetidin-3-amine
CID 66183472
2-cyclopentyl-N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
CID 114191629
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
N-methyl-2-(2-methylimidazol-1-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106614105
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638894
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625379
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine (CID 106639131) is N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine is CCN(CCn1ccnc1C)CC1CCCNC1.
What is the InChIKey of N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is AJTTZISZIYLSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-17(12-14-5-4-6-15-11-14)9-10-18-8-7-16-13(18)2/h7-8,14-15H,3-6,9-12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine?
N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 250.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylimidazol-1-yl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106639131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).