(4-tert-butylfuran-2-yl)methanamine

C9H15NO — CID 89205423

IUPAC(4-tert-butylfuran-2-yl)methanamine
SMILESCC(C)(C)c1coc(CN)c1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-4-8(5-10)11-6-7/h4,6H,5,10H2,1-3H3
InChIKeyUWCDJGPCTRLXCT-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.04
Rot. Bonds1

About (4-tert-butylfuran-2-yl)methanamine

(4-tert-butylfuran-2-yl)methanamine (PubChem CID 89205423) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (4-tert-butylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylfuran-2-yl)methanamine
PubChem CID89205423
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(4-tert-butylfuran-2-yl)methanamine
SMILESCC(C)(C)c1coc(CN)c1
InChIInChI=1S/C9H15NO/c1-9(2,3)7-4-8(5-10)11-6-7/h4,6H,5,10H2,1-3H3
InChIKeyUWCDJGPCTRLXCT-UHFFFAOYSA-N
XLogP2.04
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylfuran-2-yl)methanamine?
The IUPAC name of (4-tert-butylfuran-2-yl)methanamine (CID 89205423) is (4-tert-butylfuran-2-yl)methanamine.
What is the SMILES notation for (4-tert-butylfuran-2-yl)methanamine?
The canonical SMILES for (4-tert-butylfuran-2-yl)methanamine is CC(C)(C)c1coc(CN)c1.
What is the InChIKey of (4-tert-butylfuran-2-yl)methanamine?
The InChIKey is UWCDJGPCTRLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)7-4-8(5-10)11-6-7/h4,6H,5,10H2,1-3H3.
What are the key properties of (4-tert-butylfuran-2-yl)methanamine?
(4-tert-butylfuran-2-yl)methanamine has a molecular weight of 153.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylfuran-2-yl)methanamine is sourced from PubChem (CID 89205423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).