2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine

C18H23N3 — CID 43707968

IUPAC2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine
SMILESCc1cccc(C2CC(Nc3cccnc3N(C)C)C2)c1
InChIInChI=1S/C18H23N3/c1-13-6-4-7-14(10-13)15-11-16(12-15)20-17-8-5-9-19-18(17)21(2)3/h4-10,15-16,20H,11-12H2,1-3H3
InChIKeyZDUWLVZRVRRZOH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.81
Rot. Bonds4

About 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine

2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine (PubChem CID 43707968) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine
PubChem CID43707968
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine
SMILESCc1cccc(C2CC(Nc3cccnc3N(C)C)C2)c1
InChIInChI=1S/C18H23N3/c1-13-6-4-7-14(10-13)15-11-16(12-15)20-17-8-5-9-19-18(17)21(2)3/h4-10,15-16,20H,11-12H2,1-3H3
InChIKeyZDUWLVZRVRRZOH-UHFFFAOYSA-N
XLogP3.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine?
The IUPAC name of 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine (CID 43707968) is 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine is Cc1cccc(C2CC(Nc3cccnc3N(C)C)C2)c1.
What is the InChIKey of 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine?
The InChIKey is ZDUWLVZRVRRZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-6-4-7-14(10-13)15-11-16(12-15)20-17-8-5-9-19-18(17)21(2)3/h4-10,15-16,20H,11-12H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine?
2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine has a molecular weight of 281.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-3-N-[3-(3-methylphenyl)cyclobutyl]pyridine-2,3-diamine is sourced from PubChem (CID 43707968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).