5-tert-butyl-N-methyl-3-methylidenefuran-2-amine

C10H17NO — CID 176971338

IUPAC5-tert-butyl-N-methyl-3-methylidenefuran-2-amine
SMILESC=C1C=C(C(C)(C)C)OC1NC
InChIInChI=1S/C10H17NO/c1-7-6-8(10(2,3)4)12-9(7)11-5/h6,9,11H,1H2,2-5H3
InChIKeyRULGBHDLFCRSCO-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.05
Rot. Bonds1

About 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine

5-tert-butyl-N-methyl-3-methylidenefuran-2-amine (PubChem CID 176971338) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-3-methylidenefuran-2-amine
PubChem CID176971338
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name5-tert-butyl-N-methyl-3-methylidenefuran-2-amine
SMILESC=C1C=C(C(C)(C)C)OC1NC
InChIInChI=1S/C10H17NO/c1-7-6-8(10(2,3)4)12-9(7)11-5/h6,9,11H,1H2,2-5H3
InChIKeyRULGBHDLFCRSCO-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine?
The IUPAC name of 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine (CID 176971338) is 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine.
What is the SMILES notation for 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine?
The canonical SMILES for 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine is C=C1C=C(C(C)(C)C)OC1NC.
What is the InChIKey of 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine?
The InChIKey is RULGBHDLFCRSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-6-8(10(2,3)4)12-9(7)11-5/h6,9,11H,1H2,2-5H3.
What are the key properties of 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine?
5-tert-butyl-N-methyl-3-methylidenefuran-2-amine has a molecular weight of 167.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-3-methylidenefuran-2-amine is sourced from PubChem (CID 176971338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).