1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine

C18H32N2O2 — CID 22457316

IUPAC1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
SMILESCC(C)COCCNc1ccccc1NCCOCC(C)C
InChIInChI=1S/C18H32N2O2/c1-15(2)13-21-11-9-19-17-7-5-6-8-18(17)20-10-12-22-14-16(3)4/h5-8,15-16,19-20H,9-14H2,1-4H3
InChIKeyFFURWMBCOAECTC-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.86
Rot. Bonds12

About 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine

1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine (PubChem CID 22457316) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
PubChem CID22457316
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
SMILESCC(C)COCCNc1ccccc1NCCOCC(C)C
InChIInChI=1S/C18H32N2O2/c1-15(2)13-21-11-9-19-17-7-5-6-8-18(17)20-10-12-22-14-16(3)4/h5-8,15-16,19-20H,9-14H2,1-4H3
InChIKeyFFURWMBCOAECTC-UHFFFAOYSA-N
XLogP3.86
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine (CID 22457316) is 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine is CC(C)COCCNc1ccccc1NCCOCC(C)C.
What is the InChIKey of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
The InChIKey is FFURWMBCOAECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-15(2)13-21-11-9-19-17-7-5-6-8-18(17)20-10-12-22-14-16(3)4/h5-8,15-16,19-20H,9-14H2,1-4H3.
What are the key properties of 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine?
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine has a molecular weight of 308.47 g/mol, XLogP of 3.86, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 22457316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).