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

C15H28N2O — CID 79069153

IUPAC1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
SMILESCCNC(c1ccoc1)C(C)(CC)N(CC)CC
InChIInChI=1S/C15H28N2O/c1-6-15(5,17(8-3)9-4)14(16-7-2)13-10-11-18-12-13/h10-12,14,16H,6-9H2,1-5H3
InChIKeyFJOIZBBQMZZFKA-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.44
Rot. Bonds8

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

1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine (PubChem CID 79069153) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
PubChem CID79069153
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine
SMILESCCNC(c1ccoc1)C(C)(CC)N(CC)CC
InChIInChI=1S/C15H28N2O/c1-6-15(5,17(8-3)9-4)14(16-7-2)13-10-11-18-12-13/h10-12,14,16H,6-9H2,1-5H3
InChIKeyFJOIZBBQMZZFKA-UHFFFAOYSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
CID 79063322
1-(furan-3-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79064609
1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 79989059
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058545
2-ethyl-1-(furan-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79062006
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
N-[furan-3-yl-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43625464
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 114656808
2-N,2-N-diethyl-2-methyl-1-(5-methylthiophen-3-yl)-1-N-propylbutane-1,2-diamine
CID 79068762

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine (CID 79069153) is 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine is CCNC(c1ccoc1)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine?
The InChIKey is FJOIZBBQMZZFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-15(5,17(8-3)9-4)14(16-7-2)13-10-11-18-12-13/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine?
1-N,2-N,2-N-triethyl-1-(furan-3-yl)-2-methylbutane-1,2-diamine has a molecular weight of 252.40 g/mol, XLogP of 3.44, 8 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-3-yl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 79069153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).