N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine

C11H15N3 — CID 116828291

IUPACN-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cc[nH]c2)[nH]c1C
InChIInChI=1S/C11H15N3/c1-8-10(6-12-2)5-11(14-8)9-3-4-13-7-9/h3-5,7,12-14H,6H2,1-2H3
InChIKeyDJXWTIAIJLJEPK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.04
Rot. Bonds3

About N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine

N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine (PubChem CID 116828291) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
PubChem CID116828291
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
SMILESCNCc1cc(-c2cc[nH]c2)[nH]c1C
InChIInChI=1S/C11H15N3/c1-8-10(6-12-2)5-11(14-8)9-3-4-13-7-9/h3-5,7,12-14H,6H2,1-2H3
InChIKeyDJXWTIAIJLJEPK-UHFFFAOYSA-N
XLogP2.04
TPSA43.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828241
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 116828251
N-methyl-1-[2-methyl-5-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828270
N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828293
N-methyl-1-[2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828335
N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
CID 116828347
N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828297
N-methyl-1-[1-[5-(1H-pyrrol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882188
N-methyl-N'-(1H-pyrrol-3-yl)methanediamine
CID 115226530
5-chloro-2-(1H-pyrrol-3-yl)-1H-indol-6-amine
CID 96599329
N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
CID 136995812
N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine
CID 136995824

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine (CID 116828291) is N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine is CNCc1cc(-c2cc[nH]c2)[nH]c1C.
What is the InChIKey of N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is DJXWTIAIJLJEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-10(6-12-2)5-11(14-8)9-3-4-13-7-9/h3-5,7,12-14H,6H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 189.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 116828291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).