N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine

C20H26N2O — CID 53494671

IUPACN-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCN(CCc1c[nH]c2ccccc12)Cc1ccco1
InChIInChI=1S/C20H26N2O/c1-16(2)9-11-22(15-18-6-5-13-23-18)12-10-17-14-21-20-8-4-3-7-19(17)20/h3-8,13-14,16,21H,9-12,15H2,1-2H3
InChIKeyCDSIYAGTXFQQOC-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.85
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine

N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine (PubChem CID 53494671) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine
PubChem CID53494671
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCN(CCc1c[nH]c2ccccc12)Cc1ccco1
InChIInChI=1S/C20H26N2O/c1-16(2)9-11-22(15-18-6-5-13-23-18)12-10-17-14-21-20-8-4-3-7-19(17)20/h3-8,13-14,16,21H,9-12,15H2,1-2H3
InChIKeyCDSIYAGTXFQQOC-UHFFFAOYSA-N
XLogP4.85
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine (CID 53494671) is N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine is CC(C)CCN(CCc1c[nH]c2ccccc12)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine?
The InChIKey is CDSIYAGTXFQQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)9-11-22(15-18-6-5-13-23-18)12-10-17-14-21-20-8-4-3-7-19(17)20/h3-8,13-14,16,21H,9-12,15H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine?
N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine has a molecular weight of 310.44 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 53494671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).