N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine

C11H15N3 — CID 22564190

IUPACN-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine
SMILESCN(Cn1cccc1)Cn1cccc1
InChIInChI=1S/C11H15N3/c1-12(10-13-6-2-3-7-13)11-14-8-4-5-9-14/h2-9H,10-11H2,1H3
InChIKeyPHPBFWQPMDZNMI-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.84
Rot. Bonds4

About N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine

N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine (PubChem CID 22564190) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine
PubChem CID22564190
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine
SMILESCN(Cn1cccc1)Cn1cccc1
InChIInChI=1S/C11H15N3/c1-12(10-13-6-2-3-7-13)11-14-8-4-5-9-14/h2-9H,10-11H2,1H3
InChIKeyPHPBFWQPMDZNMI-UHFFFAOYSA-N
XLogP1.84
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine (CID 22564190) is N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine is CN(Cn1cccc1)Cn1cccc1.
What is the InChIKey of N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine?
The InChIKey is PHPBFWQPMDZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-12(10-13-6-2-3-7-13)11-14-8-4-5-9-14/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine?
N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine has a molecular weight of 189.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrol-1-yl-N-(pyrrol-1-ylmethyl)methanamine is sourced from PubChem (CID 22564190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).