N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C16H28N2O — CID 62417078

IUPACN-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCC(C)C)co1
InChIInChI=1S/C16H28N2O/c1-6-18(10-14(4)5)11-16-7-15(12-19-16)9-17-8-13(2)3/h7,12-13,17H,4,6,8-11H2,1-3,5H3
InChIKeyKCUAMIDUZTXADA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.42
Rot. Bonds9

About N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62417078) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62417078
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESC=C(C)CN(CC)Cc1cc(CNCC(C)C)co1
InChIInChI=1S/C16H28N2O/c1-6-18(10-14(4)5)11-16-7-15(12-19-16)9-17-8-13(2)3/h7,12-13,17H,4,6,8-11H2,1-3,5H3
InChIKeyKCUAMIDUZTXADA-UHFFFAOYSA-N
XLogP3.42
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481377
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
CID 113498791
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62428706
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 63940661
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
CID 62417271
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpentan-2-amine
CID 55074909
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 62417078) is N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is C=C(C)CN(CC)Cc1cc(CNCC(C)C)co1.
What is the InChIKey of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KCUAMIDUZTXADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-18(10-14(4)5)11-16-7-15(12-19-16)9-17-8-13(2)3/h7,12-13,17H,4,6,8-11H2,1-3,5H3.
What are the key properties of N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62417078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).