1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine

C17H28N2O — CID 115376095

IUPAC1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCOC1CC(Nc2cccc(N(C)C)c2)C1(C)CC
InChIInChI=1S/C17H28N2O/c1-6-17(3)15(12-16(17)20-7-2)18-13-9-8-10-14(11-13)19(4)5/h8-11,15-16,18H,6-7,12H2,1-5H3
InChIKeyJHNQKSSLNTZJRU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.76
Rot. Bonds6

About 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine

1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine (PubChem CID 115376095) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
PubChem CID115376095
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
SMILESCCOC1CC(Nc2cccc(N(C)C)c2)C1(C)CC
InChIInChI=1S/C17H28N2O/c1-6-17(3)15(12-16(17)20-7-2)18-13-9-8-10-14(11-13)19(4)5/h8-11,15-16,18H,6-7,12H2,1-5H3
InChIKeyJHNQKSSLNTZJRU-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine (CID 115376095) is 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine is CCOC1CC(Nc2cccc(N(C)C)c2)C1(C)CC.
What is the InChIKey of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
The InChIKey is JHNQKSSLNTZJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-17(3)15(12-16(17)20-7-2)18-13-9-8-10-14(11-13)19(4)5/h8-11,15-16,18H,6-7,12H2,1-5H3.
What are the key properties of 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine?
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).