N-(furan-3-ylmethyl)butan-2-amine

C9H15NO — CID 61023383

IUPACN-(furan-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ccoc1
InChIInChI=1S/C9H15NO/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyOFXAWMMDLPARFQ-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.17
Rot. Bonds4

About N-(furan-3-ylmethyl)butan-2-amine

N-(furan-3-ylmethyl)butan-2-amine (PubChem CID 61023383) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)butan-2-amine
PubChem CID61023383
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-(furan-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1ccoc1
InChIInChI=1S/C9H15NO/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,7-8,10H,3,6H2,1-2H3
InChIKeyOFXAWMMDLPARFQ-UHFFFAOYSA-N
XLogP2.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)butan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)butan-2-amine (CID 61023383) is N-(furan-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)butan-2-amine is CCC(C)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)butan-2-amine?
The InChIKey is OFXAWMMDLPARFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8(2)10-6-9-4-5-11-7-9/h4-5,7-8,10H,3,6H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)butan-2-amine?
N-(furan-3-ylmethyl)butan-2-amine has a molecular weight of 153.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 61023383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).