3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine

C17H25N3 — CID 115376878

IUPAC3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
SMILESCc1ccc(NCc2cc(C)n(C)c2C)cc1N(C)C
InChIInChI=1S/C17H25N3/c1-12-7-8-16(10-17(12)19(4)5)18-11-15-9-13(2)20(6)14(15)3/h7-10,18H,11H2,1-6H3
InChIKeyXGJAVTBDBVBWMB-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.63
Rot. Bonds4

About 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine (PubChem CID 115376878) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
PubChem CID115376878
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
SMILESCc1ccc(NCc2cc(C)n(C)c2C)cc1N(C)C
InChIInChI=1S/C17H25N3/c1-12-7-8-16(10-17(12)19(4)5)18-11-15-9-13(2)20(6)14(15)3/h7-10,18H,11H2,1-6H3
InChIKeyXGJAVTBDBVBWMB-UHFFFAOYSA-N
XLogP3.63
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine (CID 115376878) is 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine is Cc1ccc(NCc2cc(C)n(C)c2C)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is XGJAVTBDBVBWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-7-8-16(10-17(12)19(4)5)18-11-15-9-13(2)20(6)14(15)3/h7-10,18H,11H2,1-6H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 271.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 115376878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).