N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

C16H24N2O — CID 62440078

IUPACN-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESC=CCN(CC=C)Cc1cc(C)c(CNC2CC2)o1
InChIInChI=1S/C16H24N2O/c1-4-8-18(9-5-2)12-15-10-13(3)16(19-15)11-17-14-6-7-14/h4-5,10,14,17H,1-2,6-9,11-12H2,3H3
InChIKeyRCANOTCUBOUJOC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.01
Rot. Bonds9

About N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine

N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 62440078) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID62440078
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
SMILESC=CCN(CC=C)Cc1cc(C)c(CNC2CC2)o1
InChIInChI=1S/C16H24N2O/c1-4-8-18(9-5-2)12-15-10-13(3)16(19-15)11-17-14-6-7-14/h4-5,10,14,17H,1-2,6-9,11-12H2,3H3
InChIKeyRCANOTCUBOUJOC-UHFFFAOYSA-N
XLogP3.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(dimethylamino)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62418013
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 63940268
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62434715
N-[[5-[(cyclopropylamino)methyl]-4-methylfuran-2-yl]methyl]-N-ethylaniline
CID 62424504
N-[[5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62463688
N-[[3-methyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 115987804
N-[[3-methyl-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431361
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[5-[(3,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62453241
N-[[3-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62438980

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine (CID 62440078) is N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine is C=CCN(CC=C)Cc1cc(C)c(CNC2CC2)o1.
What is the InChIKey of N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is RCANOTCUBOUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-8-18(9-5-2)12-15-10-13(3)16(19-15)11-17-14-6-7-14/h4-5,10,14,17H,1-2,6-9,11-12H2,3H3.
What are the key properties of N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[5-[[bis(prop-2-enyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 3.01, 9 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]-3-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62440078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).