3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine

C13H24N2O — CID 83175566

IUPAC3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-5-15(6-2)13(3,4)12(14)10-11-8-7-9-16-11/h7-9,12H,5-6,10,14H2,1-4H3
InChIKeyPYQLMYDRWPELKI-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds6

About 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine

3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine (PubChem CID 83175566) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine
PubChem CID83175566
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-5-15(6-2)13(3,4)12(14)10-11-8-7-9-16-11/h7-9,12H,5-6,10,14H2,1-4H3
InChIKeyPYQLMYDRWPELKI-UHFFFAOYSA-N
XLogP2.27
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-methoxy-3-methylpentan-2-amine
CID 116757355
2-(furan-2-ylmethyl)-3,3-dimethylbutan-1-amine
CID 83138308
2-(2-ethylbutyl)furan
CID 68844643
2-(furan-2-yl)-1-(1-methylcyclopropyl)ethanamine
CID 83182565
1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine
CID 79055999
1-(furan-2-yl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 83175258
3-(diethylamino)-1-(furan-2-yl)-3-methylbutan-2-one
CID 83173087
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
2-(furan-2-ylmethyl)butan-1-amine
CID 13029329
1-[1-amino-2-(furan-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 83183452
1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79054154
[1-(furan-2-yl)-3-methyl-3-phenylbutan-2-yl]hydrazine
CID 105216401

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine (CID 83175566) is 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine is CCN(CC)C(C)(C)C(N)Cc1ccco1.
What is the InChIKey of 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine?
The InChIKey is PYQLMYDRWPELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-15(6-2)13(3,4)12(14)10-11-8-7-9-16-11/h7-9,12H,5-6,10,14H2,1-4H3.
What are the key properties of 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine?
3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine is sourced from PubChem (CID 83175566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).