1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine

C14H26N2O — CID 79055999

IUPAC1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine
SMILESCCNC(c1ccco1)C(C)(C)N(CC)CC
InChIInChI=1S/C14H26N2O/c1-6-15-13(12-10-9-11-17-12)14(4,5)16(7-2)8-3/h9-11,13,15H,6-8H2,1-5H3
InChIKeyMZUOBPKJXIBWLC-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.05
Rot. Bonds7

About 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine

1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine (PubChem CID 79055999) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine
PubChem CID79055999
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine
SMILESCCNC(c1ccco1)C(C)(C)N(CC)CC
InChIInChI=1S/C14H26N2O/c1-6-15-13(12-10-9-11-17-12)14(4,5)16(7-2)8-3/h9-11,13,15H,6-8H2,1-5H3
InChIKeyMZUOBPKJXIBWLC-UHFFFAOYSA-N
XLogP3.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-2-yl)-2,2-dimethylbutan-1-amine
CID 62679358
1-(1-benzofuran-2-yl)-1-N,2-N,2-N-triethyl-2-methylpropane-1,2-diamine
CID 114729538
2-(azepan-1-yl)-N-ethyl-1-(furan-2-yl)-2-methylpropan-1-amine
CID 79050582
1-N,2-N,2-N-triethyl-2-methyl-1-(4-propylphenyl)propane-1,2-diamine
CID 79046664
3-N,3-N-diethyl-1-(furan-2-yl)-3-methylbutane-2,3-diamine
CID 83175566
1-N,2-N,2-N-triethyl-1-(4-fluoro-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79056921
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
1-(3-bromofuran-2-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79055906
1-N,2-N,2-N-triethyl-1-(4-methoxy-2-methylphenyl)-2-methylpropane-1,2-diamine
CID 79046675
1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
CID 79069153
1-N,2-N,2-N-triethyl-1-(1-ethylimidazol-2-yl)-2-methylpropane-1,2-diamine
CID 79056002
N,3-diethyl-1-(furan-2-yl)pentan-1-amine
CID 82922422

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine (CID 79055999) is 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine is CCNC(c1ccco1)C(C)(C)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine?
The InChIKey is MZUOBPKJXIBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-15-13(12-10-9-11-17-12)14(4,5)16(7-2)8-3/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine?
1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-triethyl-1-(furan-2-yl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 79055999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).