N-butyl-3,4-dihydro-2H-pyrrol-5-amine

C8H16N2 — CID 21050660

IUPACN-butyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCCNC1=NCCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-9-8-5-4-7-10-8/h2-7H2,1H3,(H,9,10)
InChIKeyGKDRBVGHBPYNDR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds3

About N-butyl-3,4-dihydro-2H-pyrrol-5-amine

N-butyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 21050660) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-butyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-butyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID21050660
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-butyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCCNC1=NCCC1
InChIInChI=1S/C8H16N2/c1-2-3-6-9-8-5-4-7-10-8/h2-7H2,1H3,(H,9,10)
InChIKeyGKDRBVGHBPYNDR-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-butyl-3,4-dihydro-2H-pyrrol-5-amine (CID 21050660) is N-butyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-butyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-butyl-3,4-dihydro-2H-pyrrol-5-amine is CCCCNC1=NCCC1.
What is the InChIKey of N-butyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is GKDRBVGHBPYNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-6-9-8-5-4-7-10-8/h2-7H2,1H3,(H,9,10).
What are the key properties of N-butyl-3,4-dihydro-2H-pyrrol-5-amine?
N-butyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 140.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 21050660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).