1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine

C15H23N — CID 116660854

IUPAC1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(Cc1c(C)cccc1C)NCC
InChIInChI=1S/C15H23N/c1-5-8-14(16-6-2)11-15-12(3)9-7-10-13(15)4/h5,7,9-10,14,16H,1,6,8,11H2,2-4H3
InChIKeySCCKHPNYAAVHLJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds6

About 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine

1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine (PubChem CID 116660854) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
PubChem CID116660854
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine
SMILESC=CCC(Cc1c(C)cccc1C)NCC
InChIInChI=1S/C15H23N/c1-5-8-14(16-6-2)11-15-12(3)9-7-10-13(15)4/h5,7,9-10,14,16H,1,6,8,11H2,2-4H3
InChIKeySCCKHPNYAAVHLJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine (CID 116660854) is 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine is C=CCC(Cc1c(C)cccc1C)NCC.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine?
The InChIKey is SCCKHPNYAAVHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-5-8-14(16-6-2)11-15-12(3)9-7-10-13(15)4/h5,7,9-10,14,16H,1,6,8,11H2,2-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine?
1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-ethylpent-4-en-2-amine is sourced from PubChem (CID 116660854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).