N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

C20H37N5O — CID 45212641

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCN1CCCC1CN(Cc1cnc[nH]1)CC1CCN(CCOC)CC1
InChIInChI=1S/C20H37N5O/c1-3-25-8-4-5-20(25)16-24(15-19-13-21-17-22-19)14-18-6-9-23(10-7-18)11-12-26-2/h13,17-18,20H,3-12,14-16H2,1-2H3,(H,21,22)
InChIKeyHZGZRNJZGIVMLR-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.05
Rot. Bonds10

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (PubChem CID 45212641) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
PubChem CID45212641
Molecular FormulaC20H37N5O
Molecular Weight363.55 g/mol
Exact Mass363.30
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCN1CCCC1CN(Cc1cnc[nH]1)CC1CCN(CCOC)CC1
InChIInChI=1S/C20H37N5O/c1-3-25-8-4-5-20(25)16-24(15-19-13-21-17-22-19)14-18-6-9-23(10-7-18)11-12-26-2/h13,17-18,20H,3-12,14-16H2,1-2H3,(H,21,22)
InChIKeyHZGZRNJZGIVMLR-UHFFFAOYSA-N
XLogP2.05
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[(2S)-1-ethylpyrrolidin-2-yl]methyl-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 29153862
(E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-phenylprop-2-en-1-amine
CID 45229833
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 45225771
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 42513986
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 45226089
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3,5-dimethylfuran-2-carboxamide
CID 45175059
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,4,4-trifluoro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]butanamide
CID 45168001
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-methylsulfanyl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 42394878
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25274205
N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45242953

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (CID 45212641) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is CCN1CCCC1CN(Cc1cnc[nH]1)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The InChIKey is HZGZRNJZGIVMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O/c1-3-25-8-4-5-20(25)16-24(15-19-13-21-17-22-19)14-18-6-9-23(10-7-18)11-12-26-2/h13,17-18,20H,3-12,14-16H2,1-2H3,(H,21,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine has a molecular weight of 363.55 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(1H-imidazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 45212641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).