1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine

C14H23N3O — CID 143022149

IUPAC1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine
SMILESCCNc1ccc(NC)cc1/N=C/C(C)(C)OC
InChIInChI=1S/C14H23N3O/c1-6-16-12-8-7-11(15-4)9-13(12)17-10-14(2,3)18-5/h7-10,15-16H,6H2,1-5H3/b17-10+
InChIKeyDGZRWQUPQXBDCN-LICLKQGHSA-N
MW249.36 g/mol
LogP3.29
Rot. Bonds6

About 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine

1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine (PubChem CID 143022149) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine
PubChem CID143022149
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine
SMILESCCNc1ccc(NC)cc1/N=C/C(C)(C)OC
InChIInChI=1S/C14H23N3O/c1-6-16-12-8-7-11(15-4)9-13(12)17-10-14(2,3)18-5/h7-10,15-16H,6H2,1-5H3/b17-10+
InChIKeyDGZRWQUPQXBDCN-LICLKQGHSA-N
XLogP3.29
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine (CID 143022149) is 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine is CCNc1ccc(NC)cc1/N=C/C(C)(C)OC.
What is the InChIKey of 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine?
The InChIKey is DGZRWQUPQXBDCN-LICLKQGHSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-16-12-8-7-11(15-4)9-13(12)17-10-14(2,3)18-5/h7-10,15-16H,6H2,1-5H3/b17-10+.
What are the key properties of 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine?
1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-[(2-methoxy-2-methylpropylidene)amino]-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 143022149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).