N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C15H28N2O — CID 62420289

IUPACN-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CC)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-6-9-17(7-2)12-13-8-10-18-14(13)11-16-15(3,4)5/h8,10,16H,6-7,9,11-12H2,1-5H3
InChIKeyYCHMZPJXSASQLQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.40
Rot. Bonds7

About N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62420289) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62420289
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CC)Cc1ccoc1CNC(C)(C)C
InChIInChI=1S/C15H28N2O/c1-6-9-17(7-2)12-13-8-10-18-14(13)11-16-15(3,4)5/h8,10,16H,6-7,9,11-12H2,1-5H3
InChIKeyYCHMZPJXSASQLQ-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62420289) is N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is CCCN(CC)Cc1ccoc1CNC(C)(C)C.
What is the InChIKey of N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YCHMZPJXSASQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-9-17(7-2)12-13-8-10-18-14(13)11-16-15(3,4)5/h8,10,16H,6-7,9,11-12H2,1-5H3.
What are the key properties of N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 252.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62420289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).