N-(furan-3-ylmethyl)propan-1-amine

C8H13NO — CID 43163756

IUPACN-(furan-3-ylmethyl)propan-1-amine
SMILESCCCNCc1ccoc1
InChIInChI=1S/C8H13NO/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyYCXCWRJBLFTPOL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.78
Rot. Bonds4

About N-(furan-3-ylmethyl)propan-1-amine

N-(furan-3-ylmethyl)propan-1-amine (PubChem CID 43163756) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)propan-1-amine
PubChem CID43163756
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-(furan-3-ylmethyl)propan-1-amine
SMILESCCCNCc1ccoc1
InChIInChI=1S/C8H13NO/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyYCXCWRJBLFTPOL-UHFFFAOYSA-N
XLogP1.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)propan-1-amine (CID 43163756) is N-(furan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)propan-1-amine is CCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)propan-1-amine?
The InChIKey is YCXCWRJBLFTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-4-9-6-8-3-5-10-7-8/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)propan-1-amine?
N-(furan-3-ylmethyl)propan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.78, 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)propan-1-amine is sourced from PubChem (CID 43163756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).