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

C9H16N2 — CID 106188411

IUPACN-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)=CCNC1=NCCC1
InChIInChI=1S/C9H16N2/c1-8(2)5-7-11-9-4-3-6-10-9/h5H,3-4,6-7H2,1-2H3,(H,10,11)
InChIKeyKQGIMSXIMOFSCR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds2

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

N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 106188411) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID106188411
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESCC(C)=CCNC1=NCCC1
InChIInChI=1S/C9H16N2/c1-8(2)5-7-11-9-4-3-6-10-9/h5H,3-4,6-7H2,1-2H3,(H,10,11)
InChIKeyKQGIMSXIMOFSCR-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
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-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 106188411) is N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine is CC(C)=CCNC1=NCCC1.
What is the InChIKey of N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is KQGIMSXIMOFSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)5-7-11-9-4-3-6-10-9/h5H,3-4,6-7H2,1-2H3,(H,10,11).
What are the key properties of N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 106188411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).