4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine

C15H19N3 — CID 81313245

IUPAC4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C15H19N3/c1-12-4-5-14(16-10-12)11-17-13-6-8-15(9-7-13)18(2)3/h4-10,17H,11H2,1-3H3
InChIKeyNXGSMGKVVXQGDU-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.07
Rot. Bonds4

About 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine (PubChem CID 81313245) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
PubChem CID81313245
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine
SMILESCc1ccc(CNc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C15H19N3/c1-12-4-5-14(16-10-12)11-17-13-6-8-15(9-7-13)18(2)3/h4-10,17H,11H2,1-3H3
InChIKeyNXGSMGKVVXQGDU-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine (CID 81313245) is 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine is Cc1ccc(CNc2ccc(N(C)C)cc2)nc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
The InChIKey is NXGSMGKVVXQGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-4-5-14(16-10-12)11-17-13-6-8-15(9-7-13)18(2)3/h4-10,17H,11H2,1-3H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[(5-methyl-2-pyridinyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 81313245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).