3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine

C7H14N2 — CID 18983431

IUPAC3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)C1CN=C(N)C1
InChIInChI=1S/C7H14N2/c1-5(2)6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyPUOKLNVZFQOPOS-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.02
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine

3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 18983431) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID18983431
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)C1CN=C(N)C1
InChIInChI=1S/C7H14N2/c1-5(2)6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyPUOKLNVZFQOPOS-UHFFFAOYSA-N
XLogP1.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine (CID 18983431) is 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine is CC(C)C1CN=C(N)C1.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is PUOKLNVZFQOPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5(2)6-3-7(8)9-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine?
3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 126.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 18983431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).