1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine

C7H14N2 — CID 59872561

IUPAC1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine
SMILESCC(N)CC1=CNCC1
InChIInChI=1S/C7H14N2/c1-6(8)4-7-2-3-9-5-7/h5-6,9H,2-4,8H2,1H3
InChIKeyIHOZFHQYBWDBKB-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.60
Rot. Bonds2

About 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine

1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine (PubChem CID 59872561) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine
PubChem CID59872561
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine
SMILESCC(N)CC1=CNCC1
InChIInChI=1S/C7H14N2/c1-6(8)4-7-2-3-9-5-7/h5-6,9H,2-4,8H2,1H3
InChIKeyIHOZFHQYBWDBKB-UHFFFAOYSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine (CID 59872561) is 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine is CC(N)CC1=CNCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine?
The InChIKey is IHOZFHQYBWDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(8)4-7-2-3-9-5-7/h5-6,9H,2-4,8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine?
1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine has a molecular weight of 126.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-pyrrol-4-yl)propan-2-amine is sourced from PubChem (CID 59872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).