N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

C13H22N2O2 — CID 63208354

IUPACN-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1ccoc1
InChIInChI=1S/C13H22N2O2/c1-2-15(9-12-4-3-6-17-12)13(8-14)11-5-7-16-10-11/h5,7,10,12-13H,2-4,6,8-9,14H2,1H3
InChIKeyASQQVACLRQCMBU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.78
Rot. Bonds6

About N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine

N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 63208354) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID63208354
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CC1CCCO1)C(CN)c1ccoc1
InChIInChI=1S/C13H22N2O2/c1-2-15(9-12-4-3-6-17-12)13(8-14)11-5-7-16-10-11/h5,7,10,12-13H,2-4,6,8-9,14H2,1H3
InChIKeyASQQVACLRQCMBU-UHFFFAOYSA-N
XLogP1.78
TPSA51.63 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N-ethyl-1-(furan-2-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433626
1-(3,4-difluorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433575
N-ethyl-1-(3-fluoro-4-methylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63649598
1-(2-ethoxyphenyl)-N-ethyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61433486
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
N-butyl-N-cyclopropyl-1-(furan-3-yl)ethane-1,2-diamine
CID 63208501
1-(4-ethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431322
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
N',2-diethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 81079200
1-(3,5-dichlorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431124
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 63208354) is N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCN(CC1CCCO1)C(CN)c1ccoc1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ASQQVACLRQCMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-15(9-12-4-3-6-17-12)13(8-14)11-5-7-16-10-11/h5,7,10,12-13H,2-4,6,8-9,14H2,1H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63208354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).