1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine

C10H17N3 — CID 141451850

IUPAC1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
SMILESCNCc1cc(N)ccc1N(C)C
InChIInChI=1S/C10H17N3/c1-12-7-8-6-9(11)4-5-10(8)13(2)3/h4-6,12H,7,11H2,1-3H3
InChIKeyPPOREOMOFPDMHH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.05
Rot. Bonds3

About 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine

1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine (PubChem CID 141451850) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
PubChem CID141451850
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine
SMILESCNCc1cc(N)ccc1N(C)C
InChIInChI=1S/C10H17N3/c1-12-7-8-6-9(11)4-5-10(8)13(2)3/h4-6,12H,7,11H2,1-3H3
InChIKeyPPOREOMOFPDMHH-UHFFFAOYSA-N
XLogP1.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine (CID 141451850) is 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine is CNCc1cc(N)ccc1N(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine?
The InChIKey is PPOREOMOFPDMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-7-8-6-9(11)4-5-10(8)13(2)3/h4-6,12H,7,11H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine?
1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-(methylaminomethyl)benzene-1,4-diamine is sourced from PubChem (CID 141451850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).