N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

C13H22N2O2 — CID 62559702

IUPACN-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(CCNCc1ccoc1)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-15(13-3-8-16-9-4-13)6-5-14-10-12-2-7-17-11-12/h2,7,11,13-14H,3-6,8-10H2,1H3
InChIKeyJTUFPFYVYKMQSD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds6

About N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62559702) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62559702
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(CCNCc1ccoc1)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-15(13-3-8-16-9-4-13)6-5-14-10-12-2-7-17-11-12/h2,7,11,13-14H,3-6,8-10H2,1H3
InChIKeyJTUFPFYVYKMQSD-UHFFFAOYSA-N
XLogP1.48
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N-(furan-3-ylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754097
N-(furan-3-ylmethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 55175004
N-(furan-3-ylmethyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63864393
1-[2-(furan-3-ylmethylamino)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 55160308
N-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N'-cyclopropyl-N-(furan-3-ylmethyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62553956
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55089294

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 62559702) is N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is CN(CCNCc1ccoc1)C1CCOCC1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is JTUFPFYVYKMQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(13-3-8-16-9-4-13)6-5-14-10-12-2-7-17-11-12/h2,7,11,13-14H,3-6,8-10H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62559702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).