4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine

C12H19NO — CID 79598273

IUPAC4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine
SMILESCC(C)CNCCC=Cc1ccoc1
InChIInChI=1S/C12H19NO/c1-11(2)9-13-7-4-3-5-12-6-8-14-10-12/h3,5-6,8,10-11,13H,4,7,9H2,1-2H3
InChIKeyPSELYMCDYYUGOT-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.93
Rot. Bonds6

About 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine

4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine (PubChem CID 79598273) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine
PubChem CID79598273
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine
SMILESCC(C)CNCCC=Cc1ccoc1
InChIInChI=1S/C12H19NO/c1-11(2)9-13-7-4-3-5-12-6-8-14-10-12/h3,5-6,8,10-11,13H,4,7,9H2,1-2H3
InChIKeyPSELYMCDYYUGOT-UHFFFAOYSA-N
XLogP2.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.93
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 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine?
The IUPAC name of 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine (CID 79598273) is 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine.
What is the SMILES notation for 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine?
The canonical SMILES for 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine is CC(C)CNCCC=Cc1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine?
The InChIKey is PSELYMCDYYUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(2)9-13-7-4-3-5-12-6-8-14-10-12/h3,5-6,8,10-11,13H,4,7,9H2,1-2H3.
What are the key properties of 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine?
4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-N-(2-methylpropyl)but-3-en-1-amine is sourced from PubChem (CID 79598273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).