N-(furan-2-ylmethyl)propan-2-amine

C8H13NO — CID 12572948

IUPACN-(furan-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccco1
InChIInChI=1S/C8H13NO/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKeyGAGIUQGGHJZYTE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.78
Rot. Bonds3

About N-(furan-2-ylmethyl)propan-2-amine

N-(furan-2-ylmethyl)propan-2-amine (PubChem CID 12572948) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)propan-2-amine
PubChem CID12572948
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(furan-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1ccco1
InChIInChI=1S/C8H13NO/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3
InChIKeyGAGIUQGGHJZYTE-UHFFFAOYSA-N
XLogP1.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)propan-2-amine (CID 12572948) is N-(furan-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)propan-2-amine is CC(C)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)propan-2-amine?
The InChIKey is GAGIUQGGHJZYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(2)9-6-8-4-3-5-10-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)propan-2-amine?
N-(furan-2-ylmethyl)propan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 12572948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).