N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine

C13H20N2 — CID 79185322

IUPACN-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cc(C)ccn1
InChIInChI=1S/C13H20N2/c1-5-14-12(8-10(2)3)13-9-11(4)6-7-15-13/h6-7,9,12,14H,2,5,8H2,1,3-4H3
InChIKeyHTRLOESXHZFNTM-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine

N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine (PubChem CID 79185322) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
PubChem CID79185322
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=C(C)CC(NCC)c1cc(C)ccn1
InChIInChI=1S/C13H20N2/c1-5-14-12(8-10(2)3)13-9-11(4)6-7-15-13/h6-7,9,12,14H,2,5,8H2,1,3-4H3
InChIKeyHTRLOESXHZFNTM-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.01
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

N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
N-ethyl-3-methyl-1-pyridin-2-ylbut-3-en-1-amine
CID 79178919
N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
N-ethyl-2-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 55259074
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
CID 115619035
N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038280
N-ethyl-2-(4-ethylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63841394
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 106858043
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 79709700
N-ethyl-2,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 114284868

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine (CID 79185322) is N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine is C=C(C)CC(NCC)c1cc(C)ccn1.
What is the InChIKey of N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine?
The InChIKey is HTRLOESXHZFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-5-14-12(8-10(2)3)13-9-11(4)6-7-15-13/h6-7,9,12,14H,2,5,8H2,1,3-4H3.
What are the key properties of N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine?
N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 79185322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).