N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

C22H41N5O — CID 45218372

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCN1CCCC1CN(Cc1nccn1CC)CC1CCN(CCOC)CC1
InChIInChI=1S/C22H41N5O/c1-4-26-11-6-7-21(26)18-25(19-22-23-10-14-27(22)5-2)17-20-8-12-24(13-9-20)15-16-28-3/h10,14,20-21H,4-9,11-13,15-19H2,1-3H3
InChIKeyNKEKXZXYLQWMSM-UHFFFAOYSA-N
MW391.60 g/mol
LogP2.55
Rot. Bonds11

About N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (PubChem CID 45218372) has the molecular formula C22H41N5O and a molecular weight of 391.60 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
PubChem CID45218372
Molecular FormulaC22H41N5O
Molecular Weight391.60 g/mol
Exact Mass391.33
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCN1CCCC1CN(Cc1nccn1CC)CC1CCN(CCOC)CC1
InChIInChI=1S/C22H41N5O/c1-4-26-11-6-7-21(26)18-25(19-22-23-10-14-27(22)5-2)17-20-8-12-24(13-9-20)15-16-28-3/h10,14,20-21H,4-9,11-13,15-19H2,1-3H3
InChIKeyNKEKXZXYLQWMSM-UHFFFAOYSA-N
XLogP2.55
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methyl-1H-imidazol-2-yl)-1-[2-(tetrahydro-3-furanyl)ethyl]piperidine
CID 70751123
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
3-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-ol
CID 70776255
{(3R*,4R*)-4-(piperidin-1-ylmethyl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methanol
CID 70781451
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1-pyrrolidinylcarbonyl)piperidine
CID 72889477
4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
CID 95827895
N,N-dimethyl-2-[8-[(1-methylimidazol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-1-yl]ethanamine
CID 97396895
(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
1-[4-[[Methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 53616567
2-[4-[[(1-Ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]ethanol
CID 53622462
1-(2-methoxyethyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726324

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (CID 45218372) is N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is CCN1CCCC1CN(Cc1nccn1CC)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The InChIKey is NKEKXZXYLQWMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O/c1-4-26-11-6-7-21(26)18-25(19-22-23-10-14-27(22)5-2)17-20-8-12-24(13-9-20)15-16-28-3/h10,14,20-21H,4-9,11-13,15-19H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine has a molecular weight of 391.60 g/mol, XLogP of 2.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 45218372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).