N-tert-butyl-N-methylfuran-2-amine

C9H15NO — CID 129255567

IUPACN-tert-butyl-N-methylfuran-2-amine
SMILESCN(c1ccco1)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-9(2,3)10(4)8-6-5-7-11-8/h5-7H,1-4H3
InChIKeyGJVBKJHDYRPHOQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.51
Rot. Bonds1

About N-tert-butyl-N-methylfuran-2-amine

N-tert-butyl-N-methylfuran-2-amine (PubChem CID 129255567) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-tert-butyl-N-methylfuran-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-methylfuran-2-amine
PubChem CID129255567
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-tert-butyl-N-methylfuran-2-amine
SMILESCN(c1ccco1)C(C)(C)C
InChIInChI=1S/C9H15NO/c1-9(2,3)10(4)8-6-5-7-11-8/h5-7H,1-4H3
InChIKeyGJVBKJHDYRPHOQ-UHFFFAOYSA-N
XLogP2.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methylfuran-2-amine?
The IUPAC name of N-tert-butyl-N-methylfuran-2-amine (CID 129255567) is N-tert-butyl-N-methylfuran-2-amine.
What is the SMILES notation for N-tert-butyl-N-methylfuran-2-amine?
The canonical SMILES for N-tert-butyl-N-methylfuran-2-amine is CN(c1ccco1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methylfuran-2-amine?
The InChIKey is GJVBKJHDYRPHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2,3)10(4)8-6-5-7-11-8/h5-7H,1-4H3.
What are the key properties of N-tert-butyl-N-methylfuran-2-amine?
N-tert-butyl-N-methylfuran-2-amine has a molecular weight of 153.22 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methylfuran-2-amine is sourced from PubChem (CID 129255567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).