(3S)-2-propan-2-yl-3H-pyrrol-3-amine

C7H12N2 — CID 138690325

IUPAC(3S)-2-propan-2-yl-3H-pyrrol-3-amine
SMILESCC(C)C1=NC=C[C@@H]1N
InChIInChI=1S/C7H12N2/c1-5(2)7-6(8)3-4-9-7/h3-6H,8H2,1-2H3/t6-/m0/s1
InChIKeyKFHGRDCQCLBHIJ-LURJTMIESA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds1

About (3S)-2-propan-2-yl-3H-pyrrol-3-amine

(3S)-2-propan-2-yl-3H-pyrrol-3-amine (PubChem CID 138690325) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3S)-2-propan-2-yl-3H-pyrrol-3-amine.

Molecular Properties

Compound Name(3S)-2-propan-2-yl-3H-pyrrol-3-amine
PubChem CID138690325
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3S)-2-propan-2-yl-3H-pyrrol-3-amine
SMILESCC(C)C1=NC=C[C@@H]1N
InChIInChI=1S/C7H12N2/c1-5(2)7-6(8)3-4-9-7/h3-6H,8H2,1-2H3/t6-/m0/s1
InChIKeyKFHGRDCQCLBHIJ-LURJTMIESA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-propan-2-yl-3H-pyrrol-3-amine?
The IUPAC name of (3S)-2-propan-2-yl-3H-pyrrol-3-amine (CID 138690325) is (3S)-2-propan-2-yl-3H-pyrrol-3-amine.
What is the SMILES notation for (3S)-2-propan-2-yl-3H-pyrrol-3-amine?
The canonical SMILES for (3S)-2-propan-2-yl-3H-pyrrol-3-amine is CC(C)C1=NC=C[C@@H]1N.
What is the InChIKey of (3S)-2-propan-2-yl-3H-pyrrol-3-amine?
The InChIKey is KFHGRDCQCLBHIJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-6(8)3-4-9-7/h3-6H,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-2-propan-2-yl-3H-pyrrol-3-amine?
(3S)-2-propan-2-yl-3H-pyrrol-3-amine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-propan-2-yl-3H-pyrrol-3-amine is sourced from PubChem (CID 138690325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).