N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C13H22N2O2 — CID 62557513

IUPACN'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCO1)Cc1ccoc1
InChIInChI=1S/C13H22N2O2/c1-15(10-12-4-8-16-11-12)6-5-14-9-13-3-2-7-17-13/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3
InChIKeyXTTBGDNSDXEUDH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds7

About N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62557513) 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-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID62557513
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCO1)Cc1ccoc1
InChIInChI=1S/C13H22N2O2/c1-15(10-12-4-8-16-11-12)6-5-14-9-13-3-2-7-17-13/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3
InChIKeyXTTBGDNSDXEUDH-UHFFFAOYSA-N
XLogP1.48
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'-[(4-chlorophenyl)methyl]-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62557923
N-(furan-3-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 3156818
N'-methyl-N-(oxolan-2-ylmethyl)-N'-propylethane-1,2-diamine
CID 62561860
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N'-ethyl-N'-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62558243
N',N'-dibutyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62575237
N'-(2-methoxyethyl)-N'-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62844681
1-(furan-3-ylmethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 119130018
N,N-dimethyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 834270
N-[(4-fluorophenyl)methyl]-N-methyl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119683651
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 63195312

Frequently Asked Questions

What is the IUPAC name of N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 62557513) is N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CN(CCNCC1CCCO1)Cc1ccoc1.
What is the InChIKey of N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is XTTBGDNSDXEUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(10-12-4-8-16-11-12)6-5-14-9-13-3-2-7-17-13/h4,8,11,13-14H,2-3,5-7,9-10H2,1H3.
What are the key properties of N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-(furan-3-ylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.48, 7 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-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).