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

C21H37N3O2 — CID 45242580

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCN1CCCC1CN(Cc1ccoc1)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H37N3O2/c1-3-24-9-4-5-21(24)17-23(16-20-8-13-26-18-20)15-19-6-10-22(11-7-19)12-14-25-2/h8,13,18-19,21H,3-7,9-12,14-17H2,1-2H3
InChIKeyVZNQKXPKGXAFOM-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.92
Rot. Bonds10

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (PubChem CID 45242580) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
PubChem CID45242580
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
SMILESCCN1CCCC1CN(Cc1ccoc1)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H37N3O2/c1-3-24-9-4-5-21(24)17-23(16-20-8-13-26-18-20)15-19-6-10-22(11-7-19)12-14-25-2/h8,13,18-19,21H,3-7,9-12,14-17H2,1-2H3
InChIKeyVZNQKXPKGXAFOM-UHFFFAOYSA-N
XLogP2.92
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine (CID 45242580) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is CCN1CCCC1CN(Cc1ccoc1)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
The InChIKey is VZNQKXPKGXAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-3-24-9-4-5-21(24)17-23(16-20-8-13-26-18-20)15-19-6-10-22(11-7-19)12-14-25-2/h8,13,18-19,21H,3-7,9-12,14-17H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine has a molecular weight of 363.55 g/mol, XLogP of 2.92, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 45242580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).