N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

C16H23N3O — CID 62573599

IUPACN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)CCc1ccccn1)c1ccco1
InChIInChI=1S/C16H23N3O/c1-14(16-7-5-13-20-16)17-10-12-19(2)11-8-15-6-3-4-9-18-15/h3-7,9,13-14,17H,8,10-12H2,1-2H3
InChIKeyYOKNHHYSVOQCLP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.50
Rot. Bonds8

About N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 62573599) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID62573599
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)CCc1ccccn1)c1ccco1
InChIInChI=1S/C16H23N3O/c1-14(16-7-5-13-20-16)17-10-12-19(2)11-8-15-6-3-4-9-18-15/h3-7,9,13-14,17H,8,10-12H2,1-2H3
InChIKeyYOKNHHYSVOQCLP-UHFFFAOYSA-N
XLogP2.50
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62556302
N'-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62557968
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62574703
N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573416
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 62573599) is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is CC(NCCN(C)CCc1ccccn1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is YOKNHHYSVOQCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14(16-7-5-13-20-16)17-10-12-19(2)11-8-15-6-3-4-9-18-15/h3-7,9,13-14,17H,8,10-12H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62573599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).