N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine

C13H23NO2 — CID 62445034

IUPACN-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)OCc1ccco1
InChIInChI=1S/C13H23NO2/c1-5-11(9-14-13(2,3)4)16-10-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3
InChIKeyTVRCLCDCNNJFOL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.96
Rot. Bonds6

About N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine

N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine (PubChem CID 62445034) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine
PubChem CID62445034
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)OCc1ccco1
InChIInChI=1S/C13H23NO2/c1-5-11(9-14-13(2,3)4)16-10-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3
InChIKeyTVRCLCDCNNJFOL-UHFFFAOYSA-N
XLogP2.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-yloxymethyl)furan
CID 118563774
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
2-(furan-2-ylmethoxy)-N-propan-2-ylpentan-1-amine
CID 83046613
N-tert-butyl-2-(furan-2-ylmethyl)pentan-1-amine
CID 62998488
2-(furan-2-ylmethoxy)-N-(2-methylpropyl)pentan-1-amine
CID 83046443
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
2-(hexan-2-yloxymethyl)furan
CID 141468564
N-[2-(furan-2-ylmethoxy)propyl]pentan-1-amine
CID 62564799
1-(furan-2-ylmethoxy)ethanol
CID 20517704
N-[2-(furan-2-ylmethoxy)propyl]cyclopropanamine
CID 62444662
2-(ethylperoxymethyl)furan
CID 175094388
N-tert-butyl-2-(furan-2-ylmethoxymethyl)prop-2-en-1-amine
CID 103074352

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine (CID 62445034) is N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine is CCC(CNC(C)(C)C)OCc1ccco1.
What is the InChIKey of N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine?
The InChIKey is TVRCLCDCNNJFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-11(9-14-13(2,3)4)16-10-12-7-6-8-15-12/h6-8,11,14H,5,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine?
N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(furan-2-ylmethoxy)butan-1-amine is sourced from PubChem (CID 62445034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).