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

C12H22N2O — CID 63208197

IUPACN-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1ccoc1
InChIInChI=1S/C12H22N2O/c1-4-14(8-10(2)3)12(7-13)11-5-6-15-9-11/h5-6,9-10,12H,4,7-8,13H2,1-3H3
InChIKeyJXYNTANXPDTFFL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.26
Rot. Bonds6

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

N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 63208197) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID63208197
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CC(C)C)C(CN)c1ccoc1
InChIInChI=1S/C12H22N2O/c1-4-14(8-10(2)3)12(7-13)11-5-6-15-9-11/h5-6,9-10,12H,4,7-8,13H2,1-3H3
InChIKeyJXYNTANXPDTFFL-UHFFFAOYSA-N
XLogP2.26
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
N-ethyl-1-(furan-3-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 63208354
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273492
N-ethyl-N-(2-methylpropyl)-1-pyridin-3-ylethane-1,2-diamine
CID 43273458
N-ethyl-1-(5-ethylfuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55061597
1-(3-chloro-4-methylphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 106817259
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 63208600
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
N-ethyl-N-(4-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 63208552
1-(furan-3-yl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63207898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 63208197) is N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine is CCN(CC(C)C)C(CN)c1ccoc1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is JXYNTANXPDTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-14(8-10(2)3)12(7-13)11-5-6-15-9-11/h5-6,9-10,12H,4,7-8,13H2,1-3H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).