2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine

C15H24N2O2 — CID 107397091

IUPAC2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
SMILESCCN(CC1CCC1)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H24N2O2/c1-4-17(10-11-6-5-7-11)13-9-15(19-3)14(18-2)8-12(13)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyWSZNXSJNYBKYAL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 107397091) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
PubChem CID107397091
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
SMILESCCN(CC1CCC1)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C15H24N2O2/c1-4-17(10-11-6-5-7-11)13-9-15(19-3)14(18-2)8-12(13)16/h8-9,11H,4-7,10,16H2,1-3H3
InChIKeyWSZNXSJNYBKYAL-UHFFFAOYSA-N
XLogP2.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine (CID 107397091) is 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine is CCN(CC1CCC1)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is WSZNXSJNYBKYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(10-11-6-5-7-11)13-9-15(19-3)14(18-2)8-12(13)16/h8-9,11H,4-7,10,16H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 107397091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).