N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine

C17H17NO — CID 50949287

IUPACN-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(CC#Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C17H17NO/c1-2-11-18(14-17-10-13-19-15-17)12-6-9-16-7-4-3-5-8-16/h2-5,7-8,10,13,15H,1,11-12,14H2
InChIKeyHTEAWISUNCURBB-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.32
Rot. Bonds5

About N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine

N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine (PubChem CID 50949287) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
PubChem CID50949287
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine
SMILESC=CCN(CC#Cc1ccccc1)Cc1ccoc1
InChIInChI=1S/C17H17NO/c1-2-11-18(14-17-10-13-19-15-17)12-6-9-16-7-4-3-5-8-16/h2-5,7-8,10,13,15H,1,11-12,14H2
InChIKeyHTEAWISUNCURBB-UHFFFAOYSA-N
XLogP3.32
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine (CID 50949287) is N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine is C=CCN(CC#Cc1ccccc1)Cc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
The InChIKey is HTEAWISUNCURBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-11-18(14-17-10-13-19-15-17)12-6-9-16-7-4-3-5-8-16/h2-5,7-8,10,13,15H,1,11-12,14H2.
What are the key properties of N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine?
N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine has a molecular weight of 251.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-phenyl-N-prop-2-enylprop-2-yn-1-amine is sourced from PubChem (CID 50949287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).