N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C16H26N2O — CID 62438068

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESC=CCN(CC=C)Cc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H26N2O/c1-6-10-18(11-7-2)13-15-9-8-14(19-15)12-17-16(3,4)5/h6-9,17H,1-2,10-13H2,3-5H3
InChIKeyINYQBPPGEQETKY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds8

About N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62438068) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62438068
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESC=CCN(CC=C)Cc1ccc(CNC(C)(C)C)o1
InChIInChI=1S/C16H26N2O/c1-6-10-18(11-7-2)13-15-9-8-14(19-15)12-17-16(3,4)5/h6-9,17H,1-2,10-13H2,3-5H3
InChIKeyINYQBPPGEQETKY-UHFFFAOYSA-N
XLogP3.34
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 62438068) is N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is C=CCN(CC=C)Cc1ccc(CNC(C)(C)C)o1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is INYQBPPGEQETKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-10-18(11-7-2)13-15-9-8-14(19-15)12-17-16(3,4)5/h6-9,17H,1-2,10-13H2,3-5H3.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62438068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).