N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine

C9H16N2 — CID 129255826

IUPACN-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
SMILESCC1=CC(CNC(C)C)=NC1
InChIInChI=1S/C9H16N2/c1-7(2)10-6-9-4-8(3)5-11-9/h4,7,10H,5-6H2,1-3H3
InChIKeyOIEFUKLYKACUID-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds3

About N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine

N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine (PubChem CID 129255826) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
PubChem CID129255826
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine
SMILESCC1=CC(CNC(C)C)=NC1
InChIInChI=1S/C9H16N2/c1-7(2)10-6-9-4-8(3)5-11-9/h4,7,10H,5-6H2,1-3H3
InChIKeyOIEFUKLYKACUID-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine (CID 129255826) is N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine is CC1=CC(CNC(C)C)=NC1.
What is the InChIKey of N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine?
The InChIKey is OIEFUKLYKACUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)10-6-9-4-8(3)5-11-9/h4,7,10H,5-6H2,1-3H3.
What are the key properties of N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine?
N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2H-pyrrol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 129255826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).