4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine

C14H19N3 — CID 55060168

IUPAC4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NCc1ccc[nH]1
InChIInChI=1S/C14H19N3/c1-11-9-13(17(2)3)6-7-14(11)16-10-12-5-4-8-15-12/h4-9,15-16H,10H2,1-3H3
InChIKeyBSDKLKHXRSFOST-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.00
Rot. Bonds4

About 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine (PubChem CID 55060168) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
PubChem CID55060168
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NCc1ccc[nH]1
InChIInChI=1S/C14H19N3/c1-11-9-13(17(2)3)6-7-14(11)16-10-12-5-4-8-15-12/h4-9,15-16H,10H2,1-3H3
InChIKeyBSDKLKHXRSFOST-UHFFFAOYSA-N
XLogP3.00
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine (CID 55060168) is 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine is Cc1cc(N(C)C)ccc1NCc1ccc[nH]1.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is BSDKLKHXRSFOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-9-13(17(2)3)6-7-14(11)16-10-12-5-4-8-15-12/h4-9,15-16H,10H2,1-3H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 229.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 55060168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).