(2-propan-2-yl-3H-pyrrol-5-yl)methanamine

C8H14N2 — CID 89018149

IUPAC(2-propan-2-yl-3H-pyrrol-5-yl)methanamine
SMILESCC(C)C1=NC(CN)=CC1
InChIInChI=1S/C8H14N2/c1-6(2)8-4-3-7(5-9)10-8/h3,6H,4-5,9H2,1-2H3
InChIKeyZNXHLMYCHOBARX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.33
Rot. Bonds2

About (2-propan-2-yl-3H-pyrrol-5-yl)methanamine

(2-propan-2-yl-3H-pyrrol-5-yl)methanamine (PubChem CID 89018149) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2-propan-2-yl-3H-pyrrol-5-yl)methanamine.

Molecular Properties

Compound Name(2-propan-2-yl-3H-pyrrol-5-yl)methanamine
PubChem CID89018149
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2-propan-2-yl-3H-pyrrol-5-yl)methanamine
SMILESCC(C)C1=NC(CN)=CC1
InChIInChI=1S/C8H14N2/c1-6(2)8-4-3-7(5-9)10-8/h3,6H,4-5,9H2,1-2H3
InChIKeyZNXHLMYCHOBARX-UHFFFAOYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-3H-pyrrol-5-yl)methanamine?
The IUPAC name of (2-propan-2-yl-3H-pyrrol-5-yl)methanamine (CID 89018149) is (2-propan-2-yl-3H-pyrrol-5-yl)methanamine.
What is the SMILES notation for (2-propan-2-yl-3H-pyrrol-5-yl)methanamine?
The canonical SMILES for (2-propan-2-yl-3H-pyrrol-5-yl)methanamine is CC(C)C1=NC(CN)=CC1.
What is the InChIKey of (2-propan-2-yl-3H-pyrrol-5-yl)methanamine?
The InChIKey is ZNXHLMYCHOBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(2)8-4-3-7(5-9)10-8/h3,6H,4-5,9H2,1-2H3.
What are the key properties of (2-propan-2-yl-3H-pyrrol-5-yl)methanamine?
(2-propan-2-yl-3H-pyrrol-5-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-3H-pyrrol-5-yl)methanamine is sourced from PubChem (CID 89018149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).