1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine

C11H15ClN2 — CID 103444341

IUPAC1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1ncccc1Cl
InChIInChI=1S/C11H15ClN2/c1-3-4-7-10(13-2)11-9(12)6-5-8-14-11/h3,5-6,8,10,13H,1,4,7H2,2H3
InChIKeyYGXKOEYOMNZIDO-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.96
Rot. Bonds5

About 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine

1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine (PubChem CID 103444341) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
PubChem CID103444341
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine
SMILESC=CCCC(NC)c1ncccc1Cl
InChIInChI=1S/C11H15ClN2/c1-3-4-7-10(13-2)11-9(12)6-5-8-14-11/h3,5-6,8,10,13H,1,4,7H2,2H3
InChIKeyYGXKOEYOMNZIDO-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.96
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-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
1-(2-chloro-6-fluorophenyl)-N-methylpent-4-en-1-amine
CID 104987746
1-(3-chloro-2-pyridinyl)-N-methyl-2-propoxyethanamine
CID 103444249
1-(3-chloro-2-pyridinyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 103444184
1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
1-(3-chloro-2-pyridinyl)-N-ethylpentan-1-amine
CID 103444452
1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
CID 105268068
1-(3-chloro-2-pyridinyl)-N-methylprop-2-yn-1-amine
CID 103444052
1-(4-bromo-3-chlorophenyl)-N-methylpent-4-en-1-amine
CID 104987729
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-2-pyridinyl)-N-methylethanamine
CID 103444324
1-(2,6-dichlorophenyl)pent-4-enylhydrazine
CID 105311563

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine (CID 103444341) is 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine is C=CCCC(NC)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine?
The InChIKey is YGXKOEYOMNZIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-3-4-7-10(13-2)11-9(12)6-5-8-14-11/h3,5-6,8,10,13H,1,4,7H2,2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine?
1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine has a molecular weight of 210.71 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 103444341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).