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

C13H20N2 — CID 106754991

IUPAC1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1ccnc(C)c1
InChIInChI=1S/C13H20N2/c1-4-6-13(15-8-5-2)12-7-9-14-11(3)10-12/h4,7,9-10,13,15H,1,5-6,8H2,2-3H3
InChIKeyZLIRAUKORAERIB-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.01
Rot. Bonds6

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

1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine (PubChem CID 106754991) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
PubChem CID106754991
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1ccnc(C)c1
InChIInChI=1S/C13H20N2/c1-4-6-13(15-8-5-2)12-7-9-14-11(3)10-12/h4,7,9-10,13,15H,1,5-6,8H2,2-3H3
InChIKeyZLIRAUKORAERIB-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
1-(2,6-dimethyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 107503998
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154
1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
2-methyl-1-(2-methyl-4-pyridinyl)-N-propylprop-2-en-1-amine
CID 106755556
N-[2-(2-fluorophenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754896
2,2-dimethyl-1-(2-methyl-4-pyridinyl)-N-propylpropan-1-amine
CID 106755303
1-(5-methylfuran-3-yl)-N-propylbut-3-en-1-amine
CID 115814330
1-(6-bromonaphthalen-2-yl)-N-propylbut-3-en-1-amine
CID 115814812
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine (CID 106754991) is 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1ccnc(C)c1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine?
The InChIKey is ZLIRAUKORAERIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-4-6-13(15-8-5-2)12-7-9-14-11(3)10-12/h4,7,9-10,13,15H,1,5-6,8H2,2-3H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine?
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine has a molecular weight of 204.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 106754991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).