N-methyl-2-pyrrol-1-ylethanamine

C7H12N2 — CID 59730499

IUPACN-methyl-2-pyrrol-1-ylethanamine
SMILESCNCCn1cccc1
InChIInChI=1S/C7H12N2/c1-8-4-7-9-5-2-3-6-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyUGOZVQRJDQYTKT-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-2-pyrrol-1-ylethanamine

N-methyl-2-pyrrol-1-ylethanamine (PubChem CID 59730499) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-2-pyrrol-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-pyrrol-1-ylethanamine
PubChem CID59730499
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-2-pyrrol-1-ylethanamine
SMILESCNCCn1cccc1
InChIInChI=1S/C7H12N2/c1-8-4-7-9-5-2-3-6-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyUGOZVQRJDQYTKT-UHFFFAOYSA-N
XLogP0.71
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyanomethyl)-N-(2-pyrrol-1-ylethyl)oxamide
CID 106391158
2-hydroxy-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 106509780
2-methoxy-N-(2-pyrrol-1-ylethyl)acetamide
CID 103716164
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
CID 103731722
4-oxo-N-(2-pyrrol-1-ylethyl)pentanamide
CID 103846233
1-(3-ethoxypropyl)-3-(2-pyrrol-1-ylethyl)thiourea
CID 106390691
N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide
CID 110716313
3-amino-2-methyl-N-(2-pyrrol-1-ylethyl)butanamide
CID 106391137
2-amino-3,3-dimethyl-N-(2-pyrrol-1-ylethyl)butanamide
CID 106390962
2-(tert-butylamino)-N-(2-pyrrol-1-ylethyl)acetamide
CID 103725431
4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N-methyl-2-pyrrol-1-ylethanamine
CID 143926929

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrol-1-ylethanamine?
The IUPAC name of N-methyl-2-pyrrol-1-ylethanamine (CID 59730499) is N-methyl-2-pyrrol-1-ylethanamine.
What is the SMILES notation for N-methyl-2-pyrrol-1-ylethanamine?
The canonical SMILES for N-methyl-2-pyrrol-1-ylethanamine is CNCCn1cccc1.
What is the InChIKey of N-methyl-2-pyrrol-1-ylethanamine?
The InChIKey is UGOZVQRJDQYTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-4-7-9-5-2-3-6-9/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of N-methyl-2-pyrrol-1-ylethanamine?
N-methyl-2-pyrrol-1-ylethanamine has a molecular weight of 124.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrol-1-ylethanamine is sourced from PubChem (CID 59730499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).