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

C21H39N5O — CID 45218918

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCCN1CCCC1CN(Cc1nccn1C)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H39N5O/c1-4-26-10-5-6-20(26)17-25(18-21-22-9-13-23(21)2)16-19-7-11-24(12-8-19)14-15-27-3/h9,13,19-20H,4-8,10-12,14-18H2,1-3H3
InChIKeyQYAPIMOYSHHNOF-UHFFFAOYSA-N
MW377.58 g/mol
LogP2.06
Rot. Bonds10

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 45218918) has the molecular formula C21H39N5O and a molecular weight of 377.58 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID45218918
Molecular FormulaC21H39N5O
Molecular Weight377.58 g/mol
Exact Mass377.32
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCCN1CCCC1CN(Cc1nccn1C)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H39N5O/c1-4-26-10-5-6-20(26)17-25(18-21-22-9-13-23(21)2)16-19-7-11-24(12-8-19)14-15-27-3/h9,13,19-20H,4-8,10-12,14-18H2,1-3H3
InChIKeyQYAPIMOYSHHNOF-UHFFFAOYSA-N
XLogP2.06
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 52.06
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
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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
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 45218918) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine is CCN1CCCC1CN(Cc1nccn1C)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is QYAPIMOYSHHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O/c1-4-26-10-5-6-20(26)17-25(18-21-22-9-13-23(21)2)16-19-7-11-24(12-8-19)14-15-27-3/h9,13,19-20H,4-8,10-12,14-18H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 377.58 g/mol, XLogP of 2.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 45218918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).