N,N-dimethyl-1-pyrrol-1-ylmethanamine

C7H12N2 — CID 13149810

IUPACN,N-dimethyl-1-pyrrol-1-ylmethanamine
SMILESCN(C)Cn1cccc1
InChIInChI=1S/C7H12N2/c1-8(2)7-9-5-3-4-6-9/h3-6H,7H2,1-2H3
InChIKeyPSPXQZOFVONZOO-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.01
Rot. Bonds2

About N,N-dimethyl-1-pyrrol-1-ylmethanamine

N,N-dimethyl-1-pyrrol-1-ylmethanamine (PubChem CID 13149810) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,N-dimethyl-1-pyrrol-1-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyrrol-1-ylmethanamine
PubChem CID13149810
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,N-dimethyl-1-pyrrol-1-ylmethanamine
SMILESCN(C)Cn1cccc1
InChIInChI=1S/C7H12N2/c1-8(2)7-9-5-3-4-6-9/h3-6H,7H2,1-2H3
InChIKeyPSPXQZOFVONZOO-UHFFFAOYSA-N
XLogP1.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyrrol-1-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-pyrrol-1-ylmethanamine (CID 13149810) is N,N-dimethyl-1-pyrrol-1-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-pyrrol-1-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-pyrrol-1-ylmethanamine is CN(C)Cn1cccc1.
What is the InChIKey of N,N-dimethyl-1-pyrrol-1-ylmethanamine?
The InChIKey is PSPXQZOFVONZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8(2)7-9-5-3-4-6-9/h3-6H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-pyrrol-1-ylmethanamine?
N,N-dimethyl-1-pyrrol-1-ylmethanamine has a molecular weight of 124.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyrrol-1-ylmethanamine is sourced from PubChem (CID 13149810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).