N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine

C8H14N2 — CID 114616825

IUPACN-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=C(C)CNC1=NCCC1
InChIInChI=1S/C8H14N2/c1-7(2)6-10-8-4-3-5-9-8/h1,3-6H2,2H3,(H,9,10)
InChIKeyIVPAIWIUZBDCAF-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds2

About N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 114616825) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID114616825
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=C(C)CNC1=NCCC1
InChIInChI=1S/C8H14N2/c1-7(2)6-10-8-4-3-5-9-8/h1,3-6H2,2H3,(H,9,10)
InChIKeyIVPAIWIUZBDCAF-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 114616825) is N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine is C=C(C)CNC1=NCCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is IVPAIWIUZBDCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(2)6-10-8-4-3-5-9-8/h1,3-6H2,2H3,(H,9,10).
What are the key properties of N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 114616825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).