1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine

C15H24N2 — CID 114475843

IUPAC1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ncc(C)cc1C
InChIInChI=1S/C15H24N2/c1-6-16-14(8-7-11(2)3)15-13(5)9-12(4)10-17-15/h9-10,14,16H,2,6-8H2,1,3-5H3
InChIKeyZDLZNMHQQJTGGR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.71
Rot. Bonds6

About 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine

1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine (PubChem CID 114475843) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
PubChem CID114475843
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(NCC)c1ncc(C)cc1C
InChIInChI=1S/C15H24N2/c1-6-16-14(8-7-11(2)3)15-13(5)9-12(4)10-17-15/h9-10,14,16H,2,6-8H2,1,3-5H3
InChIKeyZDLZNMHQQJTGGR-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.71
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

1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
CID 114475839
1-(3,5-dimethyl-2-pyridinyl)-N-ethylhex-4-yn-1-amine
CID 104807424
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
CID 114856913
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-2-methylpentan-1-amine
CID 107896833
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
2-(2-chloro-5-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)-N-ethylethanamine
CID 102619289
1-(4-chloro-2-methylphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114028358
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
N-ethyl-4-methyl-1-(1,2,5-thiadiazol-3-yl)pent-4-en-1-amine
CID 105182650
N-ethyl-4-methyl-1-(3-methylthiophen-2-yl)pent-4-en-1-amine
CID 105039269
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine (CID 114475843) is 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine is C=C(C)CCC(NCC)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine?
The InChIKey is ZDLZNMHQQJTGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-16-14(8-7-11(2)3)15-13(5)9-12(4)10-17-15/h9-10,14,16H,2,6-8H2,1,3-5H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine?
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).