N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine

C11H20N2O — CID 116905952

IUPACN'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCCNCC(c1ccc(C)o1)N(C)C
InChIInChI=1S/C11H20N2O/c1-5-12-8-10(13(3)4)11-7-6-9(2)14-11/h6-7,10,12H,5,8H2,1-4H3
InChIKeyAXCPWERISRCSLT-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.80
Rot. Bonds5

About N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine

N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine (PubChem CID 116905952) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
PubChem CID116905952
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
SMILESCCNCC(c1ccc(C)o1)N(C)C
InChIInChI=1S/C11H20N2O/c1-5-12-8-10(13(3)4)11-7-6-9(2)14-11/h6-7,10,12H,5,8H2,1-4H3
InChIKeyAXCPWERISRCSLT-UHFFFAOYSA-N
XLogP1.80
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine
CID 116907489
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-ethoxybenzamide
CID 26834445
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905955
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine (CID 116905952) is N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine is CCNCC(c1ccc(C)o1)N(C)C.
What is the InChIKey of N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
The InChIKey is AXCPWERISRCSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-12-8-10(13(3)4)11-7-6-9(2)14-11/h6-7,10,12H,5,8H2,1-4H3.
What are the key properties of N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine has a molecular weight of 196.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116905952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).