N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine

C10H15NO — CID 104579893

IUPACN-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccoc1
InChIInChI=1S/C10H15NO/c1-8(2)6-11-9(3)10-4-5-12-7-10/h4-5,7,9,11H,1,6H2,2-3H3
InChIKeyMDFUBINRQRGKIH-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine

N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 104579893) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID104579893
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)c1ccoc1
InChIInChI=1S/C10H15NO/c1-8(2)6-11-9(3)10-4-5-12-7-10/h4-5,7,9,11H,1,6H2,2-3H3
InChIKeyMDFUBINRQRGKIH-UHFFFAOYSA-N
XLogP2.51
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81352556
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
[1-(furan-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105221417
1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
CID 115719534
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine (CID 104579893) is N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(C)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is MDFUBINRQRGKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(2)6-11-9(3)10-4-5-12-7-10/h4-5,7,9,11H,1,6H2,2-3H3.
What are the key properties of N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine?
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 165.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 104579893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).