N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

C14H24N2O2 — CID 62560272

IUPACN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCC(NCCN(C)C1CCOCC1)c1ccco1
InChIInChI=1S/C14H24N2O2/c1-12(14-4-3-9-18-14)15-7-8-16(2)13-5-10-17-11-6-13/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyPXUGCUIPDJYSLV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds6

About N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62560272) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62560272
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCC(NCCN(C)C1CCOCC1)c1ccco1
InChIInChI=1S/C14H24N2O2/c1-12(14-4-3-9-18-14)15-7-8-16(2)13-5-10-17-11-6-13/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3
InChIKeyPXUGCUIPDJYSLV-UHFFFAOYSA-N
XLogP2.04
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 55138698
N'-(1-ethylpiperidin-4-yl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62554630
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734
1-[2-[1-(furan-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 62561360
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N'-cyclopropyl-N-[4-(furan-2-yl)butan-2-yl]-N'-methylethane-1,2-diamine
CID 55142379
N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
N'-(4-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-N'-methylethane-1,2-diamine
CID 62555893
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 62560272) is N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is CC(NCCN(C)C1CCOCC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is PXUGCUIPDJYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(14-4-3-9-18-14)15-7-8-16(2)13-5-10-17-11-6-13/h3-4,9,12-13,15H,5-8,10-11H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.04, 6 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'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62560272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).