N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine

C14H23NO — CID 115906854

IUPACN-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NC(C)c1occc1C
InChIInChI=1S/C14H23NO/c1-5-6-7-8-12(3)15-13(4)14-11(2)9-10-16-14/h5,9-10,12-13,15H,1,6-8H2,2-4H3
InChIKeyUGRSQYNEPABWTD-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine

N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine (PubChem CID 115906854) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine.

Molecular Properties

Compound NameN-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine
PubChem CID115906854
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine
SMILESC=CCCCC(C)NC(C)c1occc1C
InChIInChI=1S/C14H23NO/c1-5-6-7-8-12(3)15-13(4)14-11(2)9-10-16-14/h5,9-10,12-13,15H,1,6-8H2,2-4H3
InChIKeyUGRSQYNEPABWTD-UHFFFAOYSA-N
XLogP3.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine?
The IUPAC name of N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine (CID 115906854) is N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine.
What is the SMILES notation for N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine?
The canonical SMILES for N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine is C=CCCCC(C)NC(C)c1occc1C.
What is the InChIKey of N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine?
The InChIKey is UGRSQYNEPABWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-6-7-8-12(3)15-13(4)14-11(2)9-10-16-14/h5,9-10,12-13,15H,1,6-8H2,2-4H3.
What are the key properties of N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine?
N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylfuran-2-yl)ethyl]hept-6-en-2-amine is sourced from PubChem (CID 115906854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).