N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine

C8H15NO — CID 102651560

IUPACN-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine
SMILESCCCNCC1=CCCO1
InChIInChI=1S/C8H15NO/c1-2-5-9-7-8-4-3-6-10-8/h4,9H,2-3,5-7H2,1H3
InChIKeyZXTRDRLALHVDNS-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.29
Rot. Bonds4

About N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine

N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine (PubChem CID 102651560) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine
PubChem CID102651560
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine
SMILESCCCNCC1=CCCO1
InChIInChI=1S/C8H15NO/c1-2-5-9-7-8-4-3-6-10-8/h4,9H,2-3,5-7H2,1H3
InChIKeyZXTRDRLALHVDNS-UHFFFAOYSA-N
XLogP1.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.29
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-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine (CID 102651560) is N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine is CCCNCC1=CCCO1.
What is the InChIKey of N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine?
The InChIKey is ZXTRDRLALHVDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-9-7-8-4-3-6-10-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine?
N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydrofuran-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 102651560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).