1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C18H28N2O — CID 43434685

IUPAC1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCc1oc2ccccc2c1CNCC(C(C)C)N(C)C
InChIInChI=1S/C18H28N2O/c1-6-17-15(14-9-7-8-10-18(14)21-17)11-19-12-16(13(2)3)20(4)5/h7-10,13,16,19H,6,11-12H2,1-5H3
InChIKeyXZHJEVPAPSWHDN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.67
Rot. Bonds7

About 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43434685) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43434685
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCc1oc2ccccc2c1CNCC(C(C)C)N(C)C
InChIInChI=1S/C18H28N2O/c1-6-17-15(14-9-7-8-10-18(14)21-17)11-19-12-16(13(2)3)20(4)5/h7-10,13,16,19H,6,11-12H2,1-5H3
InChIKeyXZHJEVPAPSWHDN-UHFFFAOYSA-N
XLogP3.67
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-2-ol
CID 43226104
2-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477023
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064
1-cyclohexyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]methanamine
CID 43226082
(2R)-2-[(2-ethyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 114986912
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]-2-methylbutan-1-ol
CID 115644591
N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008
3-[(2-ethyl-1-benzofuran-3-yl)methylamino]butan-1-ol
CID 78997742
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79492984

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43434685) is 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CCc1oc2ccccc2c1CNCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is XZHJEVPAPSWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-17-15(14-9-7-8-10-18(14)21-17)11-19-12-16(13(2)3)20(4)5/h7-10,13,16,19H,6,11-12H2,1-5H3.
What are the key properties of 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43434685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).