4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine

C19H24N2 — CID 43635825

IUPAC4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine
SMILESCc1ccccc1C1CC(Nc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H24N2/c1-14-6-4-5-7-19(14)15-12-17(13-15)20-16-8-10-18(11-9-16)21(2)3/h4-11,15,17,20H,12-13H2,1-3H3
InChIKeyGWKIWNYLFBXVFO-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.42
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine (PubChem CID 43635825) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine
PubChem CID43635825
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine
SMILESCc1ccccc1C1CC(Nc2ccc(N(C)C)cc2)C1
InChIInChI=1S/C19H24N2/c1-14-6-4-5-7-19(14)15-12-17(13-15)20-16-8-10-18(11-9-16)21(2)3/h4-11,15,17,20H,12-13H2,1-3H3
InChIKeyGWKIWNYLFBXVFO-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine (CID 43635825) is 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine is Cc1ccccc1C1CC(Nc2ccc(N(C)C)cc2)C1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine?
The InChIKey is GWKIWNYLFBXVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-6-4-5-7-19(14)15-12-17(13-15)20-16-8-10-18(11-9-16)21(2)3/h4-11,15,17,20H,12-13H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-diamine is sourced from PubChem (CID 43635825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).