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

C19H24N2 — CID 115376368

IUPAC3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
SMILESCc1ccc(C2CC(Nc3cccc(N(C)C)c3)C2)cc1
InChIInChI=1S/C19H24N2/c1-14-7-9-15(10-8-14)16-11-18(12-16)20-17-5-4-6-19(13-17)21(2)3/h4-10,13,16,18,20H,11-12H2,1-3H3
InChIKeyWVXNJXDWIZQLGX-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.42
Rot. Bonds4

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

3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine (PubChem CID 115376368) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
PubChem CID115376368
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine
SMILESCc1ccc(C2CC(Nc3cccc(N(C)C)c3)C2)cc1
InChIInChI=1S/C19H24N2/c1-14-7-9-15(10-8-14)16-11-18(12-16)20-17-5-4-6-19(13-17)21(2)3/h4-10,13,16,18,20H,11-12H2,1-3H3
InChIKeyWVXNJXDWIZQLGX-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

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine (CID 115376368) is 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine is Cc1ccc(C2CC(Nc3cccc(N(C)C)c3)C2)cc1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine?
The InChIKey is WVXNJXDWIZQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-7-9-15(10-8-14)16-11-18(12-16)20-17-5-4-6-19(13-17)21(2)3/h4-10,13,16,18,20H,11-12H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-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 3-N,3-N-dimethyl-1-N-[3-(4-methylphenyl)cyclobutyl]benzene-1,3-diamine is sourced from PubChem (CID 115376368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).