2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine

C8H16N2 — CID 19049152

IUPAC2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCC1CC(N)=NC1C
InChIInChI=1S/C8H16N2/c1-3-4-7-5-8(9)10-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyKBOKLILFNBAIHC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.55
Rot. Bonds2

About 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine

2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 19049152) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID19049152
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCC1CC(N)=NC1C
InChIInChI=1S/C8H16N2/c1-3-4-7-5-8(9)10-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyKBOKLILFNBAIHC-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine (CID 19049152) is 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine is CCCC1CC(N)=NC1C.
What is the InChIKey of 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is KBOKLILFNBAIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-7-5-8(9)10-6(7)2/h6-7H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine?
2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 140.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 19049152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).