2-[(dimethylamino)methyl]-1H-pyrrol-3-amine

C7H13N3 — CID 96637331

IUPAC2-[(dimethylamino)methyl]-1H-pyrrol-3-amine
SMILESCN(C)Cc1[nH]ccc1N
InChIInChI=1S/C7H13N3/c1-10(2)5-7-6(8)3-4-9-7/h3-4,9H,5,8H2,1-2H3
InChIKeyIMYPAJVHGNAZFB-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.66
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine

2-[(dimethylamino)methyl]-1H-pyrrol-3-amine (PubChem CID 96637331) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1H-pyrrol-3-amine
PubChem CID96637331
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-[(dimethylamino)methyl]-1H-pyrrol-3-amine
SMILESCN(C)Cc1[nH]ccc1N
InChIInChI=1S/C7H13N3/c1-10(2)5-7-6(8)3-4-9-7/h3-4,9H,5,8H2,1-2H3
InChIKeyIMYPAJVHGNAZFB-UHFFFAOYSA-N
XLogP0.66
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine (CID 96637331) is 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine is CN(C)Cc1[nH]ccc1N.
What is the InChIKey of 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine?
The InChIKey is IMYPAJVHGNAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10(2)5-7-6(8)3-4-9-7/h3-4,9H,5,8H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine?
2-[(dimethylamino)methyl]-1H-pyrrol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1H-pyrrol-3-amine is sourced from PubChem (CID 96637331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).