N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine

C13H21NO — CID 115865879

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
SMILESCCCCCCNC/C=C/c1ccco1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-10-14-11-6-8-13-9-7-12-15-13/h6-9,12,14H,2-5,10-11H2,1H3/b8-6+
InChIKeyXPOXNCLTBRAXDD-SOFGYWHQSA-N
MW207.32 g/mol
LogP3.46
Rot. Bonds8

About N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine (PubChem CID 115865879) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
PubChem CID115865879
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine
SMILESCCCCCCNC/C=C/c1ccco1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-10-14-11-6-8-13-9-7-12-15-13/h6-9,12,14H,2-5,10-11H2,1H3/b8-6+
InChIKeyXPOXNCLTBRAXDD-SOFGYWHQSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tridec-1-enylfuran
CID 76580057
N-[(E)-3-(furan-2-yl)prop-2-enyl]-3,3-dimethylbutan-1-amine
CID 115865915
butane;(E)-3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 142079105
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
3-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]-N,N-dimethylpropanamide
CID 115865995
(E)-3-(furan-2-yl)-N-[2-(2-methylpropoxy)ethyl]prop-2-en-1-amine
CID 115865959
(2R)-1-[[(E)-3-(furan-2-yl)prop-2-enyl]amino]propan-2-ol
CID 103884288
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115866089
N-[3-(furan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 79348296
N-[(2S)-butan-2-yl]-3-[3-(furan-2-yl)prop-2-enylamino]propanamide
CID 164636483
2-ethoxy-N-[(E)-3-(furan-2-yl)prop-2-enyl]propan-1-amine
CID 115866078

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine (CID 115865879) is N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine is CCCCCCNC/C=C/c1ccco1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine?
The InChIKey is XPOXNCLTBRAXDD-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-4-5-10-14-11-6-8-13-9-7-12-15-13/h6-9,12,14H,2-5,10-11H2,1H3/b8-6+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]hexan-1-amine is sourced from PubChem (CID 115865879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).