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

C13H20N2 — CID 114475839

IUPAC1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1ncc(C)cc1C
InChIInChI=1S/C13H20N2/c1-9(2)5-6-12(14)13-11(4)7-10(3)8-15-13/h7-8,12H,1,5-6,14H2,2-4H3
InChIKeyDQJJWMHIGXVFLB-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.05
Rot. Bonds4

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

1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine (PubChem CID 114475839) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
PubChem CID114475839
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine
SMILESC=C(C)CCC(N)c1ncc(C)cc1C
InChIInChI=1S/C13H20N2/c1-9(2)5-6-12(14)13-11(4)7-10(3)8-15-13/h7-8,12H,1,5-6,14H2,2-4H3
InChIKeyDQJJWMHIGXVFLB-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.05
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)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475843
1-(3-fluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 114475629
1-(3,5-dimethyl-2-pyridinyl)ethane-1,2-diol
CID 169267261
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
1-(2,4-difluoro-5-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039225
2-(2-chlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 113365589
1-(3,5-dimethyl-2-pyridinyl)-2-(2-fluorophenyl)ethanamine
CID 113365597
2-(5-bromo-3-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 104803955
4-methyl-1-(4-methylthiophen-3-yl)pent-4-en-1-amine
CID 114475513
4-methyl-1-(2H-triazol-4-yl)pent-4-en-1-amine
CID 114475564
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 114856908
4-methyl-1-(5-methyl-1-benzofuran-2-yl)pent-4-en-1-amine
CID 105182549

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine?
The IUPAC name of 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine (CID 114475839) is 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine is C=C(C)CCC(N)c1ncc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine?
The InChIKey is DQJJWMHIGXVFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-9(2)5-6-12(14)13-11(4)7-10(3)8-15-13/h7-8,12H,1,5-6,14H2,2-4H3.
What are the key properties of 1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine?
1-(3,5-dimethyl-2-pyridinyl)-4-methylpent-4-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.05, 4 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)-4-methylpent-4-en-1-amine is sourced from PubChem (CID 114475839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).