N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine

C20H36N4O2 — CID 45207670

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1ccon1)CC1CCN(CCOC)CC1
InChIInChI=1S/C20H36N4O2/c1-3-24-9-4-5-20(24)17-23(16-19-8-13-26-21-19)15-18-6-10-22(11-7-18)12-14-25-2/h8,13,18,20H,3-7,9-12,14-17H2,1-2H3
InChIKeyAXECRNWGQBXZON-UHFFFAOYSA-N
MW364.53 g/mol
LogP2.32
Rot. Bonds10

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine (PubChem CID 45207670) has the molecular formula C20H36N4O2 and a molecular weight of 364.53 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine
PubChem CID45207670
Molecular FormulaC20H36N4O2
Molecular Weight364.53 g/mol
Exact Mass364.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1ccon1)CC1CCN(CCOC)CC1
InChIInChI=1S/C20H36N4O2/c1-3-24-9-4-5-20(24)17-23(16-19-8-13-26-21-19)15-18-6-10-22(11-7-18)12-14-25-2/h8,13,18,20H,3-7,9-12,14-17H2,1-2H3
InChIKeyAXECRNWGQBXZON-UHFFFAOYSA-N
XLogP2.32
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(1,2-oxazol-3-ylmethyl)methanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine (CID 45207670) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine is CCN1CCCC1CN(Cc1ccon1)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine?
The InChIKey is AXECRNWGQBXZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2/c1-3-24-9-4-5-20(24)17-23(16-19-8-13-26-21-19)15-18-6-10-22(11-7-18)12-14-25-2/h8,13,18,20H,3-7,9-12,14-17H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(1,2-oxazol-3-ylmethyl)methanamine has a molecular weight of 364.53 g/mol, XLogP of 2.32, 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-(1,2-oxazol-3-ylmethyl)methanamine is sourced from PubChem (CID 45207670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).