4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine

C13H20BrNO — CID 79608060

IUPAC4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-10(12-11(14)7-9-16-12)6-5-8-15-13(2,3)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyNLUSREVTSLMLDQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.22
Rot. Bonds4

About 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine

4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine (PubChem CID 79608060) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine.

Molecular Properties

Compound Name4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine
PubChem CID79608060
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-10(12-11(14)7-9-16-12)6-5-8-15-13(2,3)4/h6-7,9,15H,5,8H2,1-4H3
InChIKeyNLUSREVTSLMLDQ-UHFFFAOYSA-N
XLogP4.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.22
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-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine?
The IUPAC name of 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine (CID 79608060) is 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine.
What is the SMILES notation for 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine?
The canonical SMILES for 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine is CC(=CCCNC(C)(C)C)c1occc1Br.
What is the InChIKey of 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine?
The InChIKey is NLUSREVTSLMLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(12-11(14)7-9-16-12)6-5-8-15-13(2,3)4/h6-7,9,15H,5,8H2,1-4H3.
What are the key properties of 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine?
4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine has a molecular weight of 286.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromofuran-2-yl)-N-tert-butylpent-3-en-1-amine is sourced from PubChem (CID 79608060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).