4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine

C15H21N3 — CID 66400206

IUPAC4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NCc1ccn(C)c1
InChIInChI=1S/C15H21N3/c1-12-9-14(17(2)3)5-6-15(12)16-10-13-7-8-18(4)11-13/h5-9,11,16H,10H2,1-4H3
InChIKeyXYWYDASCUYSFJT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds4

About 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine

4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine (PubChem CID 66400206) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine
PubChem CID66400206
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(N(C)C)ccc1NCc1ccn(C)c1
InChIInChI=1S/C15H21N3/c1-12-9-14(17(2)3)5-6-15(12)16-10-13-7-8-18(4)11-13/h5-9,11,16H,10H2,1-4H3
InChIKeyXYWYDASCUYSFJT-UHFFFAOYSA-N
XLogP3.01
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
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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Related Compounds

4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
4-N,4-N,2-trimethyl-1-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,4-diamine
CID 43779648
4-N,4-N,2-trimethyl-1-N-(pyrimidin-5-ylmethyl)benzene-1,4-diamine
CID 62760453
N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399583
4-N,4-N,2-trimethyl-1-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 43677065
4-N,4-N,2-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43676922
1-N-[(4-bromo-3-fluorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 81436141
1-N-[(2,6-dichlorophenyl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676987
4-chloro-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 5209751
2-[[4-(dimethylamino)-2-methylanilino]methyl]phenol
CID 43676965
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
4-N,4-N,2-trimethyl-1-N-(1H-pyrrol-2-ylmethyl)benzene-1,4-diamine
CID 55060168

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine (CID 66400206) is 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine is Cc1cc(N(C)C)ccc1NCc1ccn(C)c1.
What is the InChIKey of 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is XYWYDASCUYSFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-9-14(17(2)3)5-6-15(12)16-10-13-7-8-18(4)11-13/h5-9,11,16H,10H2,1-4H3.
What are the key properties of 4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine?
4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.01, 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,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 66400206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).