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

C16H23N3 — CID 115376184

IUPAC3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(CNc2cccc(N(C)C)c2)c(C)n1C
InChIInChI=1S/C16H23N3/c1-12-9-14(13(2)19(12)5)11-17-15-7-6-8-16(10-15)18(3)4/h6-10,17H,11H2,1-5H3
InChIKeyNRAIWRVEKDZWBV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds4

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

3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine (PubChem CID 115376184) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
PubChem CID115376184
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
SMILESCc1cc(CNc2cccc(N(C)C)c2)c(C)n1C
InChIInChI=1S/C16H23N3/c1-12-9-14(13(2)19(12)5)11-17-15-7-6-8-16(10-15)18(3)4/h6-10,17H,11H2,1-5H3
InChIKeyNRAIWRVEKDZWBV-UHFFFAOYSA-N
XLogP3.32
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
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-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine (CID 115376184) is 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine is Cc1cc(CNc2cccc(N(C)C)c2)c(C)n1C.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is NRAIWRVEKDZWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-9-14(13(2)19(12)5)11-17-15-7-6-8-16(10-15)18(3)4/h6-10,17H,11H2,1-5H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 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-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 115376184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).