N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

C16H26N2O — CID 62439185

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESC=CCN(CC=C)Cc1cc(CNC(C)(C)C)co1
InChIInChI=1S/C16H26N2O/c1-6-8-18(9-7-2)12-15-10-14(13-19-15)11-17-16(3,4)5/h6-7,10,13,17H,1-2,8-9,11-12H2,3-5H3
InChIKeyOGAOFCJMSIETFV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds8

About N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine

N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62439185) 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-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62439185
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
SMILESC=CCN(CC=C)Cc1cc(CNC(C)(C)C)co1
InChIInChI=1S/C16H26N2O/c1-6-8-18(9-7-2)12-15-10-14(13-19-15)11-17-16(3,4)5/h6-7,10,13,17H,1-2,8-9,11-12H2,3-5H3
InChIKeyOGAOFCJMSIETFV-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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Related Compounds

N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62438809
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62438068
N-[[5-[[bis(prop-2-enyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 55070156
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426679
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62429083
2-methyl-N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 81067972
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
CID 62424681
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63024829
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-propylcyclopropanamine
CID 62422910
2-methyl-N-[[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431007
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylthiolan-3-amine
CID 55074791
N-[[5-[2-(dimethylamino)ethoxymethyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 55076989

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine (CID 62439185) is N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine is C=CCN(CC=C)Cc1cc(CNC(C)(C)C)co1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OGAOFCJMSIETFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-8-18(9-7-2)12-15-10-14(13-19-15)11-17-16(3,4)5/h6-7,10,13,17H,1-2,8-9,11-12H2,3-5H3.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-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-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62439185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).