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

C13H22N2O2 — CID 61423393

IUPACN-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)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/h3-4,6,11,13H,2,5,7-10,14H2,1H3
InChIKeyWEAVRLKWHWZMJR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds6

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

N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 61423393) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID61423393
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)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/h3-4,6,11,13H,2,5,7-10,14H2,1H3
InChIKeyWEAVRLKWHWZMJR-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
3-(furan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 105147712
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pentanamide
CID 81087169
2-(furan-2-yl)-1-(oxan-4-yl)ethanamine
CID 83175646
1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
CID 94054450
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55034715
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 61423393) is N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CCN(Cc1ccco1)C(CN)C1CCOC1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is WEAVRLKWHWZMJR-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/h3-4,6,11,13H,2,5,7-10,14H2,1H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 61423393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).