N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine

C14H25NO — CID 83182392

IUPACN-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C14H25NO/c1-11(2)13(9-15-14(3,4)5)8-12-6-7-16-10-12/h6-7,10-11,13,15H,8-9H2,1-5H3
InChIKeyVFJPSUIQROVPNW-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.48
Rot. Bonds5

About N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine

N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine (PubChem CID 83182392) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
PubChem CID83182392
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)Cc1ccoc1
InChIInChI=1S/C14H25NO/c1-11(2)13(9-15-14(3,4)5)8-12-6-7-16-10-12/h6-7,10-11,13,15H,8-9H2,1-5H3
InChIKeyVFJPSUIQROVPNW-UHFFFAOYSA-N
XLogP3.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine (CID 83182392) is N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)Cc1ccoc1.
What is the InChIKey of N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine?
The InChIKey is VFJPSUIQROVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13(9-15-14(3,4)5)8-12-6-7-16-10-12/h6-7,10-11,13,15H,8-9H2,1-5H3.
What are the key properties of N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine?
N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 83182392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).