N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine

C12H23NO — CID 65330142

IUPACN-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCOC1
InChIInChI=1S/C12H23NO/c1-3-5-6-7-12(13-4-2)11-8-9-14-10-11/h3,11-13H,1,4-10H2,2H3
InChIKeyNMPNPXBGGFOJHC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds7

About N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine

N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine (PubChem CID 65330142) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
PubChem CID65330142
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCOC1
InChIInChI=1S/C12H23NO/c1-3-5-6-7-12(13-4-2)11-8-9-14-10-11/h3,11-13H,1,4-10H2,2H3
InChIKeyNMPNPXBGGFOJHC-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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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Related Compounds

4-but-3-en-2-yl-N-(oxolan-3-ylmethyl)cyclohexan-1-amine
CID 68260787
2-(2-but-3-enyloxolan-2-yl)-N-methylethanamine
CID 154668352
2-(4-Dec-9-en-5-yloxypentyl)-4-ethylpyrrolidine
CID 155301829
N-(3-cyclopentyl-1-methoxypropyl)dodec-1-en-3-amine
CID 172566721
N-ethyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 61380670
1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 61380681
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62079074
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079085
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 62079407

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine (CID 65330142) is N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine is C=CCCCC(NCC)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine?
The InChIKey is NMPNPXBGGFOJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-5-6-7-12(13-4-2)11-8-9-14-10-11/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine?
N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)hex-5-en-1-amine is sourced from PubChem (CID 65330142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).