N,3,4-trimethyl-1H-pyrrol-2-amine

C7H12N2 — CID 90872612

IUPACN,3,4-trimethyl-1H-pyrrol-2-amine
SMILESCNc1[nH]cc(C)c1C
InChIInChI=1S/C7H12N2/c1-5-4-9-7(8-3)6(5)2/h4,8-9H,1-3H3
InChIKeyBTFPDXZMSXNJSR-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.67
Rot. Bonds1

About N,3,4-trimethyl-1H-pyrrol-2-amine

N,3,4-trimethyl-1H-pyrrol-2-amine (PubChem CID 90872612) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N,3,4-trimethyl-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN,3,4-trimethyl-1H-pyrrol-2-amine
PubChem CID90872612
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN,3,4-trimethyl-1H-pyrrol-2-amine
SMILESCNc1[nH]cc(C)c1C
InChIInChI=1S/C7H12N2/c1-5-4-9-7(8-3)6(5)2/h4,8-9H,1-3H3
InChIKeyBTFPDXZMSXNJSR-UHFFFAOYSA-N
XLogP1.67
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-1H-pyrrol-2-amine?
The IUPAC name of N,3,4-trimethyl-1H-pyrrol-2-amine (CID 90872612) is N,3,4-trimethyl-1H-pyrrol-2-amine.
What is the SMILES notation for N,3,4-trimethyl-1H-pyrrol-2-amine?
The canonical SMILES for N,3,4-trimethyl-1H-pyrrol-2-amine is CNc1[nH]cc(C)c1C.
What is the InChIKey of N,3,4-trimethyl-1H-pyrrol-2-amine?
The InChIKey is BTFPDXZMSXNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-4-9-7(8-3)6(5)2/h4,8-9H,1-3H3.
What are the key properties of N,3,4-trimethyl-1H-pyrrol-2-amine?
N,3,4-trimethyl-1H-pyrrol-2-amine has a molecular weight of 124.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-1H-pyrrol-2-amine is sourced from PubChem (CID 90872612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).