N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine

C21H31N3O2 — CID 3062731

IUPACN-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine
SMILESCC(C)COCC(CN(Cc1ccco1)c1ccccn1)N1CCCC1
InChIInChI=1S/C21H31N3O2/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKeyKBXWEXGFTRDKIR-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.82
Rot. Bonds10

About N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine

N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine (PubChem CID 3062731) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine
PubChem CID3062731
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine
SMILESCC(C)COCC(CN(Cc1ccco1)c1ccccn1)N1CCCC1
InChIInChI=1S/C21H31N3O2/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3
InChIKeyKBXWEXGFTRDKIR-UHFFFAOYSA-N
XLogP3.82
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine (CID 3062731) is N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine is CC(C)COCC(CN(Cc1ccco1)c1ccccn1)N1CCCC1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine?
The InChIKey is KBXWEXGFTRDKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-18(2)16-25-17-19(23-11-5-6-12-23)14-24(15-20-8-7-13-26-20)21-9-3-4-10-22-21/h3-4,7-10,13,18-19H,5-6,11-12,14-17H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine?
N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine has a molecular weight of 357.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]pyridin-2-amine is sourced from PubChem (CID 3062731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).